Authors: Emeka Abakasanga, Rania Kousovista, Georgina Cosma, Ashley Akbari, Francesco Zaccardi, Navjot Kaur, Danielle Fitt, Gyuchan Thomas Jun, Reza Kiani, Satheesh Gangadharan
Abstract: People with learning disabilities have a higher mortality rate and premature deaths compared to the general public, as reported in published research in the UK and other countries. This study analyses hospitalisations of 9,618 patients identified with learning disabilities and long-term conditions for the population of Wales using electronic health record (EHR) data sources from the SAIL Databank. We describe the demographic characteristics, prevalence of long-term conditions, medication history, hospital visits, and lifestyle history for our study cohort, and apply machine learning models to predict the length of hospital stays for this cohort. The random forest (RF) model achieved an Area Under the Curve (AUC) of 0.759 (males) and 0.756 (females), a false negative rate of 0.224 (males) and 0.229 (females), and a balanced accuracy of 0.690 (males) and 0.689 (females). After examining model performance across ethnic groups, two bias mitigation algorithms (threshold optimization and the reductions algorithm using an exponentiated gradient) were applied to minimise performance discrepancies. The threshold optimizer algorithm outperformed the reductions algorithm, achieving lower ranges in false positive rate and balanced accuracy for the male cohort across the ethnic groups. This study demonstrates the potential of applying machine learning models with effective bias mitigation approaches on EHR data sources to enable equitable prediction of hospital stays by addressing data imbalances across groups.
Authors: Taha Bouhsine
Abstract: We introduce a yat-product-powered neural network, the Neural Matter Network (NMN), a breakthrough in deep learning that achieves non-linear pattern recognition without activation functions. Our key innovation relies on the yat-product and yat-product, which naturally induces non-linearity by projecting inputs into a pseudo-metric space, eliminating the need for traditional activation functions while maintaining only a softmax layer for final class probability distribution. This approach simplifies network architecture and provides unprecedented transparency into the network's decision-making process. Our comprehensive empirical evaluation across different datasets demonstrates that NMN consistently outperforms traditional MLPs. The results challenge the assumption that separate activation functions are necessary for effective deep-learning models. The implications of this work extend beyond immediate architectural benefits, by eliminating intermediate activation functions while preserving non-linear capabilities, yat-MLP establishes a new paradigm for neural network design that combines simplicity with effectiveness. Most importantly, our approach provides unprecedented insights into the traditionally opaque "black-box" nature of neural networks, offering a clearer understanding of how these models process and classify information.
Authors: Nadav Benedek, Matan Levy, Mahmood Sharif
Abstract: Neural networks have shown remarkable performance in various tasks, yet they remain susceptible to subtle changes in their input or model parameters. One particularly impactful vulnerability arises through the Bit-Flip Attack (BFA), where flipping a small number of critical bits in a model's parameters can severely degrade its performance. A common technique for inducing bit flips in DRAM is the Row-Hammer attack, which exploits frequent uncached memory accesses to alter data. Identifying susceptible bits can be achieved through exhaustive search or progressive layer-by-layer analysis, especially in quantized networks. In this work, we introduce Impactful Bit-Flip Search (IBS), a novel method for efficiently pinpointing and flipping critical bits in full-precision networks. Additionally, we propose a Weight-Stealth technique that strategically modifies the model's parameters in a way that maintains the float values within the original distribution, thereby bypassing simple range checks often used in tamper detection.
Authors: Zhuohang Yu, Ling An, Yansong Li, Yu Wu, Zeyu Dong, Zhangdi Liu, Le Gao, Zhenyu Zhang, Chichun Zhou
Abstract: Conventional methods, including Decision Tree (DT)-based methods, have been effective in scientific tasks, such as non-image medical diagnostics, system anomaly detection, and inorganic catalysis efficiency prediction. However, most deep-learning techniques have struggled to surpass or even match this level of success as traditional machine-learning methods. The primary reason is that these applications involve multi-source, heterogeneous data where features lack explicit relationships. This contrasts with image data, where pixels exhibit spatial relationships; textual data, where words have sequential dependencies; and graph data, where nodes are connected through established associations. The absence of explicit Feature Relation Patterns (FRPs) presents a significant challenge for deep learning techniques in scientific applications that are not image, text, and graph-based. In this paper, we introduce EAPCR, a universal feature extractor designed for data without explicit FRPs. Tested across various scientific tasks, EAPCR consistently outperforms traditional methods and bridges the gap where deep learning models fall short. To further demonstrate its robustness, we synthesize a dataset without explicit FRPs. While Kolmogorov-Arnold Network (KAN) and feature extractors like Convolutional Neural Networks (CNNs), Graph Convolutional Networks (GCNs), and Transformers struggle, EAPCR excels, demonstrating its robustness and superior performance in scientific tasks without FRPs.
Authors: Alex Foote
Abstract: We present neuron embeddings, a representation that can be used to tackle polysemanticity by identifying the distinct semantic behaviours in a neuron's characteristic dataset examples, making downstream manual or automatic interpretation much easier. We apply our method to GPT2-small, and provide a UI for exploring the results. Neuron embeddings are computed using a model's internal representations and weights, making them domain and architecture agnostic and removing the risk of introducing external structure which may not reflect a model's actual computation. We describe how neuron embeddings can be used to measure neuron polysemanticity, which could be applied to better evaluate the efficacy of Sparse Auto-Encoders (SAEs).
Authors: Fatemeh Ghaffari, Xuchuang Wang, Jinhang Zuo, Mohammad Hajiesmaili
Abstract: We study the problem of multi-agent multi-armed bandits with adversarial corruption in a heterogeneous setting, where each agent accesses a subset of arms. The adversary can corrupt the reward observations for all agents. Agents share these corrupted rewards with each other, and the objective is to maximize the cumulative total reward of all agents (and not be misled by the adversary). We propose a multi-agent cooperative learning algorithm that is robust to adversarial corruptions. For this newly devised algorithm, we demonstrate that an adversary with an unknown corruption budget $C$ only incurs an additive $O((L / L_{\min}) C)$ term to the standard regret of the model in non-corruption settings, where $L$ is the total number of agents, and $L_{\min}$ is the minimum number of agents with mutual access to an arm. As a side-product, our algorithm also improves the state-of-the-art regret bounds when reducing to both the single-agent and homogeneous multi-agent scenarios, tightening multiplicative $K$ (the number of arms) and $L$ (the number of agents) factors, respectively.
Authors: Yilun Liu, Yunpu Ma, Shuo Chen, Zifeng Ding, Bailan He, Zhen Han, Volker Tresp
Abstract: The Mixture-of-Experts (MoE) paradigm has emerged as a powerful approach for scaling transformers with improved resource utilization. However, efficiently fine-tuning MoE models remains largely underexplored. Inspired by recent works on Parameter-Efficient Fine-Tuning (PEFT), we present a unified framework for integrating PEFT modules directly into the MoE mechanism. Aligning with the core principles and architecture of MoE, our framework encompasses a set of design dimensions including various functional and composition strategies. By combining design choices within our framework, we introduce Parameter-Efficient Routed Fine-Tuning (PERFT) as a flexible and scalable family of PEFT strategies tailored for MoE models. Extensive experiments on adapting OLMoE-1B-7B and Mixtral-8$\times$7B for commonsense and arithmetic reasoning tasks demonstrate the effectiveness, scalability, and intriguing dynamics of PERFT. Additionally, we provide empirical findings for each specific design choice to facilitate better application of MoE and PEFT.
Authors: Pawe{\l} Skier\'s, Kamil Deja
Abstract: In this work, we introduce JDCL - a new method for continual learning with generative rehearsal based on joint diffusion models. Neural networks suffer from catastrophic forgetting defined as abrupt loss in the model's performance when retrained with additional data coming from a different distribution. Generative-replay-based continual learning methods try to mitigate this issue by retraining a model with a combination of new and rehearsal data sampled from a generative model. In this work, we propose to extend this idea by combining a continually trained classifier with a diffusion-based generative model into a single - jointly optimized neural network. We show that such shared parametrization, combined with the knowledge distillation technique allows for stable adaptation to new tasks without catastrophic forgetting. We evaluate our approach on several benchmarks, where it outperforms recent state-of-the-art generative replay techniques. Additionally, we extend our method to the semi-supervised continual learning setup, where it outperforms competing buffer-based replay techniques, and evaluate, in a self-supervised manner, the quality of trained representations.
Authors: Renzi Wang, Flavia Sofia Acerbo, Tong Duy Son, Panagiotis Patrinos
Abstract: This paper presents a novel approach to imitation learning from observations, where an autoregressive mixture of experts model is deployed to fit the underlying policy. The parameters of the model are learned via a two-stage framework. By leveraging the existing dynamics knowledge, the first stage of the framework estimates the control input sequences and hence reduces the problem complexity. At the second stage, the policy is learned by solving a regularized maximum-likelihood estimation problem using the estimated control input sequences. We further extend the learning procedure by incorporating a Lyapunov stability constraint to ensure asymptotic stability of the identified model, for accurate multi-step predictions. The effectiveness of the proposed framework is validated using two autonomous driving datasets collected from human demonstrations, demonstrating its practical applicability in modelling complex nonlinear dynamics.
Authors: Ruiyang Qin, Pengyu Ren, Zheyu Yan, Liu Liu, Dancheng Liu, Amir Nassereldine, Jinjun Xiong, Kai Ni, Sharon Hu, Yiyu Shi
Abstract: Large Language Models (LLMs) deployed on edge devices, known as edge LLMs, need to continuously fine-tune their model parameters from user-generated data under limited resource constraints. However, most existing learning methods are not applicable for edge LLMs because of their reliance on high resources and low learning capacity. Prompt tuning (PT) has recently emerged as an effective fine-tuning method for edge LLMs by only modifying a small portion of LLM parameters, but it suffers from user domain shifts, resulting in repetitive training and losing resource efficiency. Conventional techniques to address domain shift issues often involve complex neural networks and sophisticated training, which are incompatible for PT for edge LLMs. Therefore, an open research question is how to address domain shift issues for edge LLMs with limited resources. In this paper, we propose a prompt tuning framework for edge LLMs, exploiting the benefits offered by non-volatile computing-in-memory (NVCiM) architectures. We introduce a novel NVCiM-assisted PT framework, where we narrow down the core operations to matrix-matrix multiplication, which can then be accelerated by performing in-situ computation on NVCiM. To the best of our knowledge, this is the first work employing NVCiM to improve the edge LLM PT performance.
Authors: Kutay Tire, Ege Onur Taga, Muhammed Emrullah Ildiz, Samet Oymak
Abstract: Retrieval-augmented generation (RAG) is a central component of modern LLM systems, particularly in scenarios where up-to-date information is crucial for accurately responding to user queries or when queries exceed the scope of the training data. The advent of time-series foundation models (TSFM), such as Chronos, and the need for effective zero-shot forecasting performance across various time-series domains motivates the question: Do benefits of RAG similarly carry over to time series forecasting? In this paper, we advocate that the dynamic and event-driven nature of time-series data makes RAG a crucial component of TSFMs and introduce a principled RAG framework for time-series forecasting, called Retrieval Augmented Forecasting (RAF). Within RAF, we develop efficient strategies for retrieving related time-series examples and incorporating them into forecast. Through experiments and mechanistic studies, we demonstrate that RAF indeed improves the forecasting accuracy across diverse time series domains and the improvement is more significant for larger TSFM sizes.
Authors: Sichao Xiong, Yigit Ihlamur, Fuat Alican, Aaron Ontoyin Yin
Abstract: Traditional decision tree algorithms are explainable but struggle with non-linear, high-dimensional data, limiting its applicability in complex decision-making. Neural networks excel at capturing complex patterns but sacrifice explainability in the process. In this work, we present GPTree, a novel framework combining explainability of decision trees with the advanced reasoning capabilities of LLMs. GPTree eliminates the need for feature engineering and prompt chaining, requiring only a task-specific prompt and leveraging a tree-based structure to dynamically split samples. We also introduce an expert-in-the-loop feedback mechanism to further enhance performance by enabling human intervention to refine and rebuild decision paths, emphasizing the harmony between human expertise and machine intelligence. Our decision tree achieved a 7.8% precision rate for identifying "unicorn" startups at the inception stage of a startup, surpassing gpt-4o with few-shot learning as well as the best human decision-makers (3.1% to 5.6%).
Authors: Zachary Yetman Van Egmond, Luis Rodrigues
Abstract: This paper provides a least squares formulation for the training of a 2-layer convolutional neural network using quadratic activation functions, a 2-norm loss function, and no regularization term. Using this method, an analytic expression for the globally optimal weights is obtained alongside a quadratic input-output equation for the network. These properties make the network a viable tool in system theory by enabling further analysis, such as the sensitivity of the output to perturbations in the input, which is crucial for safety-critical systems such as aircraft or autonomous vehicles.The least squares method is compared to previously proposed strategies for training quadratic networks and to a back-propagation-trained ReLU network. The proposed method is applied to a system identification problem and a GPS position estimation problem. The least squares network is shown to have a significantly reduced training time with minimal compromises on prediction accuracy alongside the advantages of having an analytic input-output equation. Although these results only apply to 2-layer networks, this paper motivates the exploration of deeper quadratic networks in the context of system theory.
Authors: Jin Han, Wu-Jun Li
Abstract: Protein structure similarity search (PSSS), which tries to search proteins with similar structures, plays a crucial role across diverse domains from drug design to protein function prediction and molecular evolution. Traditional alignment-based PSSS methods, which directly calculate alignment on the protein structures, are highly time-consuming with high memory cost. Recently, alignment-free methods, which represent protein structures as fixed-length real-valued vectors, are proposed for PSSS. Although these methods have lower time and memory cost than alignment-based methods, their time and memory cost is still too high for large-scale PSSS, and their accuracy is unsatisfactory. In this paper, we propose a novel method, called $\underline{\text{p}}$r$\underline{\text{o}}$tein $\underline{\text{s}}$tructure $\underline{\text{h}}$ashing (POSH), for PSSS. POSH learns a binary vector representation for each protein structure, which can dramatically reduce the time and memory cost for PSSS compared with real-valued vector representation based methods. Furthermore, in POSH we also propose expressive hand-crafted features and a structure encoder to well model both node and edge interactions in proteins. Experimental results on real datasets show that POSH can outperform other methods to achieve state-of-the-art accuracy. Furthermore, POSH achieves a memory saving of more than six times and speed improvement of more than four times, compared with other methods.
Authors: Norman Matloff, Aditya Mittal
Abstract: Decision-making processes have increasingly come to rely on sophisticated machine learning tools, raising concerns about the fairness of their predictions with respect to any sensitive groups. The widespread use of commercial black-box machine learning models necessitates careful consideration of their legal and ethical implications on consumers. In situations where users have access to these "black-box" models, a key question emerges: how can we mitigate or eliminate the influence of sensitive attributes, such as race or gender? We propose towerDebias (tDB), a novel approach designed to reduce the influence of sensitive variables in predictions made by black-box models. Using the Tower Property from probability theory, tDB aims to improve prediction fairness during the post-processing stage in a manner amenable to the Fairness-Utility Tradeoff. This method is highly flexible, requiring no prior knowledge of the original model's internal structure, and can be extended to a range of different applications. We provide a formal improvement theorem for tDB and demonstrate its effectiveness in both regression and classification tasks, underscoring its impact on the fairness-utility tradeoff.
Authors: Songtao Liu, Zhengkai Tu, Hanjun Dai, Peng Liu
Abstract: A significant challenge in wet lab experiments with current drug design generative models is the trade-off between pharmacological properties and synthesizability. Molecules predicted to have highly desirable properties are often difficult to synthesize, while those that are easily synthesizable tend to exhibit less favorable properties. As a result, evaluating the synthesizability of molecules in general drug design scenarios remains a significant challenge in the field of drug discovery. The commonly used synthetic accessibility (SA) score aims to evaluate the ease of synthesizing generated molecules, but it falls short of guaranteeing that synthetic routes can actually be found. Inspired by recent advances in top-down synthetic route generation, we propose a new, data-driven metric to evaluate molecule synthesizability. Our approach directly assesses the feasibility of synthetic routes for a given molecule through our proposed round-trip score. This novel metric leverages the synergistic duality between retrosynthetic planners and reaction predictors, both of which are trained on extensive reaction datasets. To demonstrate the efficacy of our method, we conduct a comprehensive evaluation of round-trip scores alongside search success rate across a range of representative molecule generative models. Code is available at https://github.com/SongtaoLiu0823/SDDBench.
Authors: Adam P. Generale, Andreas E. Robertson, Surya R. Kalidindi
Abstract: Forecasting stochastic nonlinear dynamical systems under the influence of conditioning variables is a fundamental challenge repeatedly encountered across the biological and physical sciences. While flow-based models can impressively predict the temporal evolution of probability distributions representing possible outcomes of a specific process, existing frameworks cannot satisfactorily account for the impact of conditioning variables on these dynamics. Amongst several limitations, existing methods require training data with paired conditions and are developed for discrete conditioning variables. We propose Conditional Variable Flow Matching (CVFM), a framework for learning flows transforming conditional distributions with amortization across continuous conditioning variables - permitting predictions across the conditional density manifold. This is accomplished through several novel advances, in particular, simultaneous sample conditioned flows over the main and conditioning variables, alongside a conditional Wasserstein distance and kernel facilitating conditional optimal transport. Collectively, these advances allow for learning system dynamics provided measurement data whose states and conditioning variables are not in correspondence. We demonstrate CVFM on a suite of increasingly challenging problems, including discrete and continuous conditional mapping benchmarks, image-to-image domain transfer, and modeling the temporal evolution of materials internal structure during manufacturing processes. We observe that CVFM results in improved performance and convergence characteristics over alternative conditional variants.
Authors: Arthur Bizzi, Lucas Nissenbaum, Jo\~ao M. Pereira
Abstract: We introduce Neural Conjugate Flows (NCF), a class of neural network architectures equipped with exact flow structure. By leveraging topological conjugation, we prove that these networks are not only naturally isomorphic to a continuous group, but are also universal approximators for flows of ordinary differential equation (ODEs). Furthermore, topological properties of these flows can be enforced by the architecture in an interpretable manner. We demonstrate in numerical experiments how this topological group structure leads to concrete computational gains over other physics informed neural networks in estimating and extrapolating latent dynamics of ODEs, while training up to five times faster than other flow-based architectures.
Authors: Talha Bozkus, Tara Javidi, Urbashi Mitra
Abstract: Q-learning is widely employed for optimizing various large-dimensional networks with unknown system dynamics. Recent advancements include multi-environment mixed Q-learning (MEMQ) algorithms, which utilize multiple independent Q-learning algorithms across multiple, structurally related but distinct environments and outperform several state-of-the-art Q-learning algorithms in terms of accuracy, complexity, and robustness. We herein conduct a comprehensive probabilistic coverage analysis to ensure optimal data coverage conditions for MEMQ algorithms. First, we derive upper and lower bounds on the expectation and variance of different coverage coefficients (CC) for MEMQ algorithms. Leveraging these bounds, we develop a simple way of comparing the utilities of multiple environments in MEMQ algorithms. This approach appears to be near optimal versus our previously proposed partial ordering approach. We also present a novel CC-based MEMQ algorithm to improve the accuracy and complexity of existing MEMQ algorithms. Numerical experiments are conducted using random network graphs with four different graph properties. Our algorithm can reduce the average policy error (APE) by 65% compared to partial ordering and is 95% faster than the exhaustive search. It also achieves 60% less APE than several state-of-the-art reinforcement learning and prior MEMQ algorithms. Additionally, we numerically verify the theoretical results and show their scalability with the action-space size.
Authors: Xingbo Fu, Song Wang, Yushun Dong, Binchi Zhang, Chen Chen, Jundong Li
Abstract: Federated Graph Learning (FGL) is tasked with training machine learning models, such as Graph Neural Networks (GNNs), for multiple clients, each with its own graph data. Existing methods usually assume that each client has both node features and graph structure of its graph data. In real-world scenarios, however, there exist federated systems where only a part of the clients have such data while other clients (i.e. graphless clients) may only have node features. This naturally leads to a novel problem in FGL: how to jointly train a model over distributed graph data with graphless clients? In this paper, we propose a novel framework FedGLS to tackle the problem in FGL with graphless clients. In FedGLS, we devise a local graph learner on each graphless client which learns the local graph structure with the structure knowledge transferred from other clients. To enable structure knowledge transfer, we design a GNN model and a feature encoder on each client. During local training, the feature encoder retains the local graph structure knowledge together with the GNN model via knowledge distillation, and the structure knowledge is transferred among clients in global update. Our extensive experiments demonstrate the superiority of the proposed FedGLS over five baselines.
Authors: Joshua Tian Jin Tee, Kang Zhang, Hee Suk Yoon, Dhananjaya Nagaraja Gowda, Chanwoo Kim, Chang D. Yoo
Abstract: Diffusion models have recently emerged as a potent tool in generative modeling. However, their inherent iterative nature often results in sluggish image generation due to the requirement for multiple model evaluations. Recent progress has unveiled the intrinsic link between diffusion models and Probability Flow Ordinary Differential Equations (ODEs), thus enabling us to conceptualize diffusion models as ODE systems. Simultaneously, Physics Informed Neural Networks (PINNs) have substantiated their effectiveness in solving intricate differential equations through implicit modeling of their solutions. Building upon these foundational insights, we introduce Physics Informed Distillation (PID), which employs a student model to represent the solution of the ODE system corresponding to the teacher diffusion model, akin to the principles employed in PINNs. Through experiments on CIFAR 10 and ImageNet 64x64, we observe that PID achieves performance comparable to recent distillation methods. Notably, it demonstrates predictable trends concerning method-specific hyperparameters and eliminates the need for synthetic dataset generation during the distillation process. Both of which contribute to its easy-to-use nature as a distillation approach for Diffusion Models. Our code and pre-trained checkpoint are publicly available at: https://github.com/pantheon5100/pid_diffusion.git.
Authors: Chao Huang, Chunyan Chen, Ling Shi, Chen Chen
Abstract: Machine learning has become a crucial tool for predicting the properties of crystalline materials. However, existing methods primarily represent material information by constructing multi-edge graphs of crystal structures, often overlooking the chemical and physical properties of elements (such as atomic radius, electronegativity, melting point, and ionization energy), which have a significant impact on material performance. To address this limitation, we first constructed an element property knowledge graph and utilized an embedding model to encode the element attributes within the knowledge graph. Furthermore, we propose a multimodal fusion framework, ESNet, which integrates element property features with crystal structure features to generate joint multimodal representations. This provides a more comprehensive perspective for predicting the performance of crystalline materials, enabling the model to consider both microstructural composition and chemical characteristics of the materials. We conducted experiments on the Materials Project benchmark dataset, which showed leading performance in the bandgap prediction task and achieved results on a par with existing benchmarks in the formation energy prediction task.
Authors: Dariusz Brzezinski, Julia Stachowiak, Jerzy Stefanowski, Izabela Szczech, Robert Susmaga, Sofya Aksenyuk, Uladzimir Ivashka, Oleksandr Yasinskyi
Abstract: Society is increasingly relying on predictive models in fields like criminal justice, credit risk management, or hiring. To prevent such automated systems from discriminating against people belonging to certain groups, fairness measures have become a crucial component in socially relevant applications of machine learning. However, existing fairness measures have been designed to assess the bias between predictions for protected groups without considering the imbalance in the classes of the target variable. Current research on the potential effect of class imbalance on fairness focuses on practical applications rather than dataset-independent measure properties. In this paper, we study the general properties of fairness measures for changing class and protected group proportions. For this purpose, we analyze the probability mass functions of six of the most popular group fairness measures. We also measure how the probability of achieving perfect fairness changes for varying class imbalance ratios. Moreover, we relate the dataset-independent properties of fairness measures described in this paper to classifier fairness in real-life tasks. Our results show that measures such as Equal Opportunity and Positive Predictive Parity are more sensitive to changes in class imbalance than Accuracy Equality. These findings can help guide researchers and practitioners in choosing the most appropriate fairness measures for their classification problems.
Authors: Laiqiao Qin, Tianqing Zhu, Linlin Wang, Wanlei Zhou
Abstract: Machine unlearning is new emerged technology that removes a subset of the training data from a trained model without affecting the model performance on the remaining data. This topic is becoming increasingly important in protecting user privacy and eliminating harmful or outdated data. The key challenge lies in effectively and efficiently unlearning specific information without compromising the model's utility on the retained data. For the pre-trained models, fine-tuning is an important way to achieve the unlearning target. Previous work typically fine-tuned the entire model's parameters, which incurs significant computation costs. In addition, the fine-tuning process may cause shifts in the intermediate layer features, affecting the model's overall utility. In this work, we propose a novel and efficient machine unlearning method on pre-trained models. We term the method as Residual Feature Alignment Unlearning. Specifically, we leverage LoRA (Low-Rank Adaptation) to decompose the model's intermediate features into pre-trained features and residual features. By adjusting the residual features, we align the unlearned model with the pre-trained model at the intermediate feature level to achieve both unlearning and remaining targets. The method aims to learn the zero residuals on the retained set and shifted residuals on the unlearning set. Extensive experiments on numerous datasets validate the effectiveness of our approach.
Authors: Frederic Koriche, Jean-Marie Lagniez, Stefan Mengel, Chi Tran
Abstract: Interpretable Machine Learning faces a recurring challenge of explaining the predictions made by opaque classifiers such as ensemble models, kernel methods, or neural networks in terms that are understandable to humans. When the model is viewed as a black box, the objective is to identify a small set of features that jointly determine the black box response with minimal error. However, finding such model-agnostic explanations is computationally demanding, as the problem is intractable even for binary classifiers. In this paper, the task is framed as a Constraint Optimization Problem, where the constraint solver seeks an explanation of minimum error and bounded size for an input data instance and a set of samples generated by the black box. From a theoretical perspective, this constraint programming approach offers PAC-style guarantees for the output explanation. We evaluate the approach empirically on various datasets and show that it statistically outperforms the state-of-the-art heuristic Anchors method.
Authors: Abhinav Java, Simra Shahid, Chirag Agarwal
Abstract: The widespread practice of indiscriminate data scraping to fine-tune language models (LMs) raises significant legal and ethical concerns, particularly regarding compliance with data protection laws such as the General Data Protection Regulation (GDPR). This practice often results in the unauthorized use of personal information, prompting growing debate within the academic and regulatory communities. Recent works have introduced the concept of generating unlearnable datasets (by adding imperceptible noise to the clean data), such that the underlying model achieves lower loss during training but fails to generalize to the unseen test setting. Though somewhat effective, these approaches are predominantly designed for images and are limited by several practical constraints like requiring knowledge of the target model. To this end, we introduce RegText, a framework that injects imperceptible spurious correlations into natural language datasets, effectively rendering them unlearnable without affecting semantic content. We demonstrate RegText's utility through rigorous empirical analysis of small and large LMs. Notably, RegText can restrict newer models like GPT-4o and Llama from learning on our generated data, resulting in a drop in their test accuracy compared to their zero-shot performance and paving the way for generating unlearnable text to protect public data.
Authors: Han-Guang Wang, Hui-Rang Hou, Li-Cheng Jin, Chen-Yang Xu, Zhong-Yi Zhang, Qing-Hao Meng
Abstract: Background and Objective: Depression is a severe mental disorder, and accurate diagnosis is pivotal to the cure and rehabilitation of people with depression. However, the current questionnaire-based diagnostic methods could bring subjective biases and may be denied by subjects. In search of a more objective means of diagnosis, researchers have begun to experiment with deep learning-based methods for identifying depressive disorders in recent years. Methods: In this study, a novel Spatiotemporal-fused network with Automated multi-scale Depth-wise and TIME-interval-related common feature extractor (SAD-TIME) is proposed. SAD-TIME incorporates an automated nodes' common features extractor (CFE), a spatial sector (SpS), a modified temporal sector (TeS), and a domain adversarial learner (DAL). The CFE includes a multi-scale depth-wise 1D-convolutional neural network and a time-interval embedding generator, where the unique information of each channel is preserved. The SpS fuses the functional connectivity with the distance-based connectivity containing spatial position of EEG electrodes. A multi-head-attention graph convolutional network is also applied in the SpS to fuse the features from different EEG channels. The TeS is based on long short-term memory and graph transformer networks, where the temporal information of different time-windows is fused. Moreover, the DAL is used after the SpS to obtain the domain-invariant feature. Results: Experimental results under tenfold cross-validation show that the proposed SAD-TIME method achieves 92.00% and 94.00% depression classification accuracies on two datasets, respectively, in cross-subject mode. Conclusion: SAD-TIME is a robust depression detection model, where the automatedly-generated features, the SpS and the TeS assist the classification performance with the fusion of the innate spatiotemporal information in the EEG signals.
Authors: Azmine Toushik Wasi, MD Shafikul Islam, Adipto Raihan Akib, Mahathir Mohammad Bappy
Abstract: Graph Neural Networks (GNNs) have recently gained traction in transportation, bioinformatics, language and image processing, but research on their application to supply chain management remains limited. Supply chains are inherently graph-like, making them ideal for GNN methodologies, which can optimize and solve complex problems. The barriers include a lack of proper conceptual foundations, familiarity with graph applications in SCM, and real-world benchmark datasets for GNN-based supply chain research. To address this, we discuss and connect supply chains with graph structures for effective GNN application, providing detailed formulations, examples, mathematical definitions, and task guidelines. Additionally, we present a multi-perspective real-world benchmark dataset from a leading FMCG company in Bangladesh, focusing on supply chain planning. We discuss various supply chain tasks using GNNs and benchmark several state-of-the-art models on homogeneous and heterogeneous graphs across six supply chain analytics tasks. Our analysis shows that GNN-based models consistently outperform statistical Machine Learning and other Deep Learning models by around 10-30% in regression, 10-30% in classification and detection tasks, and 15-40% in anomaly detection tasks on designated metrics. With this work, we lay the groundwork for solving supply chain problems using GNNs, supported by conceptual discussions, methodological insights, and a comprehensive dataset.
Authors: Jun Qi, Chao-Han Yang, Samuel Yen-Chi Chen, Pin-Yu Chen, Hector Zenil, Jesper Tegner
Abstract: Quantum Machine Learning (QML) offers tremendous potential but is currently limited by the availability of qubits. We introduce an innovative approach that utilizes pre-trained neural networks to enhance Variational Quantum Circuits (VQC). This technique effectively separates approximation error from qubit count and removes the need for restrictive conditions, making QML more viable for real-world applications. Our method significantly improves parameter optimization for VQC while delivering notable gains in representation and generalization capabilities, as evidenced by rigorous theoretical analysis and extensive empirical testing on quantum dot classification tasks. Moreover, our results extend to applications such as human genome analysis, demonstrating the broad applicability of our approach. By addressing the constraints of current quantum hardware, our work paves the way for a new era of advanced QML applications, unlocking the full potential of quantum computing in fields such as machine learning, materials science, medicine, mimetics, and various interdisciplinary areas.
Authors: Christian Kleiber, William H. Oliver, Tobias Buck
Abstract: We present $\texttt{LAMINAR}$, a novel unsupervised machine learning pipeline designed to enhance the representation of structure within data via producing a more-informative distance metric. Analysis methods in the physical sciences often rely on standard metrics to define geometric relationships in data, which may fail to capture the underlying structure of complex data sets. $\texttt{LAMINAR}$ addresses this by using a continuous-normalising-flow and inverse-transform-sampling to define a Riemannian manifold in the data space without the need for the user to specify a metric over the data a-priori. The result is a locally-adaptive-metric that produces structurally-informative density-based distances. We demonstrate the utility of $\texttt{LAMINAR}$ by comparing its output to the Euclidean metric for structured data sets.
Authors: Rebecca Nevin, Aleksandra \'Ciprijanovi\'c, Brian D. Nord
Abstract: Assessing the quality of aleatoric uncertainty estimates from uncertainty quantification (UQ) deep learning methods is important in scientific contexts, where uncertainty is physically meaningful and important to characterize and interpret exactly. We systematically compare aleatoric uncertainty measured by two UQ techniques, Deep Ensembles (DE) and Deep Evidential Regression (DER). Our method focuses on both zero-dimensional (0D) and two-dimensional (2D) data, to explore how the UQ methods function for different data dimensionalities. We investigate uncertainty injected on the input and output variables and include a method to propagate uncertainty in the case of input uncertainty so that we can compare the predicted aleatoric uncertainty to the known values. We experiment with three levels of noise. The aleatoric uncertainty predicted across all models and experiments scales with the injected noise level. However, the predicted uncertainty is miscalibrated to $\rm{std}(\sigma_{\rm al})$ with the true uncertainty for half of the DE experiments and almost all of the DER experiments. The predicted uncertainty is the least accurate for both UQ methods for the 2D input uncertainty experiment and the high-noise level. While these results do not apply to more complex data, they highlight that further research on post-facto calibration for these methods would be beneficial, particularly for high-noise and high-dimensional settings.
Authors: Saul Santos, Vlad Niculae, Daniel McNamee, Andr\'e F. T. Martins
Abstract: Associative memory models, such as Hopfield networks and their modern variants, have garnered renewed interest due to advancements in memory capacity and connections with self-attention in transformers. In this work, we introduce a unified framework-Hopfield-Fenchel-Young networks-which generalizes these models to a broader family of energy functions. Our energies are formulated as the difference between two Fenchel-Young losses: one, parameterized by a generalized entropy, defines the Hopfield scoring mechanism, while the other applies a post-transformation to the Hopfield output. By utilizing Tsallis and norm entropies, we derive end-to-end differentiable update rules that enable sparse transformations, uncovering new connections between loss margins, sparsity, and exact retrieval of single memory patterns. We further extend this framework to structured Hopfield networks using the SparseMAP transformation, allowing the retrieval of pattern associations rather than a single pattern. Our framework unifies and extends traditional and modern Hopfield networks and provides an energy minimization perspective for widely used post-transformations like $\ell_2$-normalization and layer normalization-all through suitable choices of Fenchel-Young losses and by using convex analysis as a building block. Finally, we validate our Hopfield-Fenchel-Young networks on diverse memory recall tasks, including free and sequential recall. Experiments on simulated data, image retrieval, multiple instance learning, and text rationalization demonstrate the effectiveness of our approach.
Authors: Sven Golu\v{z}a, Tomislav Kova\v{c}evi\'c, Stjepan Begu\v{s}i\'c, Zvonko Kostanj\v{c}ar
Abstract: The sequential nature of decision-making in financial asset trading aligns naturally with the reinforcement learning (RL) framework, making RL a common approach in this domain. However, the low signal-to-noise ratio in financial markets results in noisy estimates of environment components, including the reward function, which hinders effective policy learning by RL agents. Given the critical importance of reward function design in RL problems, this paper introduces a novel and more robust reward function by leveraging imitation learning, where a trend labeling algorithm acts as an expert. We integrate imitation (expert's) feedback with reinforcement (agent's) feedback in a model-free RL algorithm, effectively embedding the imitation learning problem within the RL paradigm to handle the stochasticity of reward signals. Empirical results demonstrate that this novel approach improves financial performance metrics compared to traditional benchmarks and RL agents trained solely using reinforcement feedback.
Authors: Yassine Abbahaddou, Fragkiskos D. Malliaros, Johannes F. Lutzeyer, Amine Mohamed Aboussalah, Michalis Vazirgiannis
Abstract: Graph Neural Networks (GNNs) have shown great promise in tasks like node and graph classification, but they often struggle to generalize, particularly to unseen or out-of-distribution (OOD) data. These challenges are exacerbated when training data is limited in size or diversity. To address these issues, we introduce a theoretical framework using Rademacher complexity to compute a regret bound on the generalization error and then characterize the effect of data augmentation. This framework informs the design of GMM-GDA, an efficient graph data augmentation (GDA) algorithm leveraging the capability of Gaussian Mixture Models (GMMs) to approximate any distribution. Our approach not only outperforms existing augmentation techniques in terms of generalization but also offers improved time complexity, making it highly suitable for real-world applications.
Authors: Wenkui Sun, Xiaoya Fan, Lijuan Jia, Tinyi Chu, Shing-Tung Yau, Rongling Wu, Zhong Wang
Abstract: Differential equations offer a foundational yet powerful framework for modeling interactions within complex dynamic systems and are widely applied across numerous scientific fields. One common challenge in this area is estimating the unknown parameters of these dynamic relationships. However, traditional numerical optimization methods rely on the selection of initial parameter values, making them prone to local optima. Meanwhile, deep learning and Bayesian methods require training models on specific differential equations, resulting in poor versatility. This paper reformulates the parameter estimation problem of differential equations as an optimization problem by introducing the concept of particles from the particle swarm optimization algorithm. Building on reinforcement learning-based particle swarm optimization (RLLPSO), this paper proposes a novel method, DERLPSO, for estimating unknown parameters of differential equations. We compared its performance on three typical ordinary differential equations with the state-of-the-art methods, including the RLLPSO algorithm, traditional numerical methods, deep learning approaches, and Bayesian methods. The experimental results demonstrate that our DERLPSO consistently outperforms other methods in terms of performance, achieving an average Mean Square Error of 1.13e-05, which reduces the error by approximately 4 orders of magnitude compared to other methods. Apart from ordinary differential equations, our DERLPSO also show great promise for estimating unknown parameters of partial differential equations. The DERLPSO method proposed in this paper has high accuracy, is independent of initial parameter values, and possesses strong versatility and stability. This work provides new insights into unknown parameter estimation for differential equations.
Authors: Alban Puech, Fran\c{c}ois Mirall\`es, Jonas Weiss, Vincent Mai, Alexandre Blondin Mass\'e, Martin de Montigny, Thomas Brunschwiler, Hendrik F. Hamann
Abstract: Quasi-static time series (QSTS) simulations have great potential for evaluating the grid's ability to accommodate the large-scale integration of distributed energy resources. However, as grids expand and operate closer to their limits, iterative power flow solvers, central to QSTS simulations, become computationally prohibitive and face increasing convergence issues. Neural power flow solvers provide a promising alternative, speeding up power flow computations by 3 to 4 orders of magnitude, though they are costly to train. In this paper, we envision how recently introduced grid foundation models could improve the economic viability of neural power flow solvers. Conceptually, these models amortize training costs by serving as a foundation for a range of grid operation and planning tasks beyond power flow solving, with only minimal fine-tuning required. We call for collaboration between the AI and power grid communities to develop and open-source these models, enabling all operators, even those with limited resources, to benefit from AI without building solutions from scratch.
Authors: Janghoon Ock, Joseph Montoya, Daniel Schweigert, Linda Hung, Santosh K. Suram, Weike Ye
Abstract: Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal learning, particularly in vision and language models, have opened new avenues for integrating data in different forms. In this work, we evaluate common techniques in multi-modal learning (alignment and fusion) in unifying some of the most important modalities in materials science: atomic structure, X-ray diffraction patterns (XRD), and composition. We show that structure graph modality can be enhanced by aligning with XRD patterns. Additionally, we show that aligning and fusing more experimentally accessible data formats, such as XRD patterns and compositions, can create more robust joint embeddings than individual modalities across various tasks. This lays the groundwork for future studies aiming to exploit the full potential of multi-modal data in materials science, facilitating more informed decision-making in materials design and discovery.
Authors: Tiago F. Tavares, Fabio Ayres, Paris Smaragdis
Abstract: Deep Learning techniques have excelled at generating embedding spaces that capture semantic similarities between items. Often these representations are paired, enabling experiments with analogies (pairs within the same domain) and cross-modality (pairs across domains). These experiments are based on specific assumptions about the geometry of embedding spaces, which allow finding paired items by extrapolating the positional relationships between embedding pairs in the training dataset, allowing for tasks such as finding new analogies, and multimodal zero-shot classification. In this work, we propose a metric to evaluate the similarity between paired item representations. Our proposal is built from the structural similarity between the nearest-neighbors induced graphs of each representation, and can be configured to compare spaces based on different distance metrics and on different neighborhood sizes. We demonstrate that our proposal can be used to identify similar structures at different scales, which is hard to achieve with kernel methods such as Centered Kernel Alignment (CKA). We further illustrate our method with two case studies: an analogy task using GloVe embeddings, and zero-shot classification in the CIFAR-100 dataset using CLIP embeddings. Our results show that accuracy in both analogy and zero-shot classification tasks correlates with the embedding similarity. These findings can help explain performance differences in these tasks, and may lead to improved design of paired-embedding models in the future.
Authors: Mattia Giovanni Campana, Franca Delmastro
Abstract: Personalized Federated Learning is essential in AI-driven ubiquitous systems, supporting the distributed development of models able to adapt to diverse and evolving user behaviors while safeguarding privacy. Despite addressing heterogeneous user data distributions in collaborative model training, existing methods often face limitations balancing personalization and generalization, oversimplifying user similarities, or relying heavily on global models. In this paper, we propose FedSub, a novel federated approach designed to enhance personalization through the use of class-aware prototypes and model subnetworks. Prototypes serve as compact representations of user data, clustered on the server to identify similarities based on specific label patterns. Concurrently, subnetworks -- model components necessary to process each class -- are extracted locally and fused by the server according to these clusters, producing highly tailored model updates for each user. This fine-grained, class-specific aggregation of clients' models allows FedSub to capture the unique characteristics of individual user data patterns. The effectiveness of FedSub is validated in three real-world scenarios characterized by high data heterogeneity, derived from human activity recognition and mobile health applications. Experimental evaluations demonstrate FedSub's performance improvements with respect to the state-of-the-art and significant advancements in personalization for ubiquitous systems based on personal mobile and wearable devices.
Authors: Shan Cong, Zhiling Sang, Hongwei Liu, Haoran Luo, Xin Wang, Hong Liang, Jie Hao, Xiaohui Yao
Abstract: The distinct characteristics of multiomics data, including complex interactions within and across biological layers and disease heterogeneity (e.g., heterogeneity in etiology and clinical symptoms), drive us to develop novel designs to address unique challenges in multiomics prediction. In this paper, we propose the multi-view knowledge transfer learning (MVKTrans) framework, which transfers intra- and inter-omics knowledge in an adaptive manner by reviewing data heterogeneity and suppressing bias transfer, thereby enhancing classification performance. Specifically, we design a graph contrastive module that is trained on unlabeled data to effectively learn and transfer the underlying intra-omics patterns to the supervised task. This unsupervised pretraining promotes learning general and unbiased representations for each modality, regardless of the downstream tasks. In light of the varying discriminative capacities of modalities across different diseases and/or samples, we introduce an adaptive and bi-directional cross-omics distillation module. This module automatically identifies richer modalities and facilitates dynamic knowledge transfer from more informative to less informative omics, thereby enabling a more robust and generalized integration. Extensive experiments on four real biomedical datasets demonstrate the superior performance and robustness of MVKTrans compared to the state-of-the-art. Code and data are available at https://github.com/Yaolab-fantastic/MVKTrans.
Authors: Cl\'ement Bonnet, Matthew V Macfarlane
Abstract: Program synthesis methods aim to automatically generate programs restricted to a language that can explain a given specification of input-output pairs. While purely symbolic approaches suffer from a combinatorial search space, recent methods leverage neural networks to learn distributions over program structures to narrow this search space significantly, enabling more efficient search. However, for challenging problems, it remains difficult to train models to perform program synthesis in one shot, making test-time search essential. Most neural methods lack structured search mechanisms during inference, relying instead on stochastic sampling or gradient updates, which can be inefficient. In this work, we propose the Latent Program Network (LPN), a general algorithm for program induction that learns a distribution over latent programs in a continuous space, enabling efficient search and test-time adaptation. We explore how to train these networks to optimize for test-time computation and demonstrate the use of gradient-based search both during training and at test time. We evaluate LPN on ARC-AGI, a program synthesis benchmark that evaluates performance by generalizing programs to new inputs rather than explaining the underlying specification. We show that LPN can generalize beyond its training distribution and adapt to unseen tasks by utilizing test-time computation, outperforming algorithms without test-time adaptation mechanisms.
Authors: Kazuki Fujii, Taishi Nakamura, Rio Yokota
Abstract: Large Language Models (LLMs) have attracted significant attention due to their human-like language understanding and generation capabilities, as well as their applicability across various domains. These models, characterized by their massive scale and extensive training data, continue to push the boundaries of what is possible in natural language processing. The Llama 3 series, for instance, exemplifies this trend with its flagship model boasting 405 billion parameters trained on 15.6 trillion tokens. The immense computational demands associated with training such models have spurred ongoing research into optimizing the efficiency of the training process, particularly through the use of lower-precision formats. NVIDIA's H100 GPU, which introduces support for FP8 in addition to the more conventional FP16 and BF16 formats, has emerged as a focal point in this optimization effort. Preliminary studies suggest that FP8 could offer substantial reductions in training time without sacrificing model performance when compared to BF16, making it a promising candidate for large-scale model training. However, the broader implications of adopting FP8, particularly in terms of training stability and downstream task performance, have yet to be fully understood. In this study, we delve into the practical trade-offs involved in adopting FP8 over BF16 for training LLMs.
Authors: Heiko H. Sch\"utt
Abstract: Which neural networks are similar is a fundamental question for both machine learning and neuroscience. Our novel method compares representations based on Bayesian statistics about linear readouts from the representations. Concretely, we suggest to use the total variation distance or Jensen-Shannon distance between prior predictive distributions to compare representations. The prior predictive distribution is a full description of the inductive bias and generalization of a model in Bayesian statistics, making it a great basis for comparisons. As Jensen-Shannon distance and total variation distance are metrics our dissimilarity measures are pseudo-metrics for representations. For a linear readout, our metrics just depend on the linear kernel matrix of the representations. Thus, our metrics connects linear read-out based comparisons to kernel based metrics like centered kernel alignment and representational similarity analysis. We apply our new metrics to deep neural networks trained on ImageNet-1k. Our new metrics can be computed efficiently including a stochastic gradient without dimensionality reductions of the representations. It broadly agrees with existing metrics, but is more stringent. It varies less across different random image samples, and it measures how well two representations could be distinguished based on a linear read out. Thus our metric nicely extends our toolkit for comparing representations.
Authors: Qin Jiang, Chengjia Wang, Michael Lones, Wei Pang
Abstract: Graph Neural Networks (GNNs) have advanced relational data analysis but lack invariance learning techniques common in image classification. In node classification with GNNs, it is actually the ego-graph of the center node that is classified. This research extends the scale invariance concept to node classification by drawing an analogy to image processing: just as scale invariance being used in image classification to capture multi-scale features, we propose the concept of ``scaled ego-graphs''. Scaled ego-graphs generalize traditional ego-graphs by replacing undirected single-edges with ``scaled-edges'', which are ordered sequences of multiple directed edges. We empirically assess the performance of the proposed scale invariance in graphs on seven benchmark datasets, across both homophilic and heterophilic structures. Our scale-invariance-based graph learning outperforms inception models derived from random walks by being simpler, faster, and more accurate. The scale invariance explains inception models' success on homophilic graphs and limitations on heterophilic graphs. To ensure applicability of inception model to heterophilic graphs as well, we further present ScaleNet, an architecture that leverages multi-scaled features. ScaleNet achieves state-of-the-art results on five out of seven datasets (four homophilic and one heterophilic) and matches top performance on the remaining two, demonstrating its excellent applicability. This represents a significant advance in graph learning, offering a unified framework that enhances node classification across various graph types. Our code is available at https://github.com/Qin87/ScaleNet/tree/July25.
Authors: Bogdan A. Danciu, Vito A. Pagone, Benjamin B\"ohm, Marius Schmidt, Christos E. Frouzakis
Abstract: The paper presents a Graph Attention Convolutional Network (GACN) for flow reconstruction from very sparse data in time-varying geometries. The model incorporates a feature propagation algorithm as a preprocessing step to handle extremely sparse inputs, leveraging information from neighboring nodes to initialize missing features. In addition, a binary indicator is introduced as a validity mask to distinguish between the original and propagated data points, enabling more effective learning from sparse inputs. Trained on a unique data set of Direct Numerical Simulations (DNS) of a motored engine at a technically relevant operating condition, the GACN shows robust performance across different resolutions and domain sizes and can effectively handle unstructured data and variable input sizes. The model is tested on previously unseen DNS data as well as on an experimental data set from Particle Image Velocimetry (PIV) measurements that were not considered during training. A comparative analysis shows that the GACN consistently outperforms both a conventional Convolutional Neural Network (CNN) and cubic interpolation methods on the DNS and PIV test sets by achieving lower reconstruction errors and better capturing fine-scale turbulent structures. In particular, the GACN effectively reconstructs flow fields from domains up to 14 times larger than those observed during training, with the performance advantage increasing for larger domains.
Authors: Hanqing Bi, Suresh Neethirajan
Abstract: This study investigates the correlation between dairy farm characteristics and methane concentrations as derived from satellite observations in Eastern Canada. Utilizing data from 11 dairy farms collected between January 2020 and December 2022, we integrated Sentinel-5P satellite methane data with critical farm-level attributes, including herd genetics, feeding practices, and management strategies. Initial analyses revealed significant correlations with methane concentrations, leading to the application of Variance Inflation Factor (VIF) and Principal Component Analysis (PCA) to address multicollinearity and enhance model stability. Subsequently, machine learning models - specifically Random Forest and Neural Networks - were employed to evaluate feature importance and predict methane emissions. Our findings indicate a strong negative correlation between the Estimated Breeding Value (EBV) for protein percentage and methane concentrations, suggesting that genetic selection for higher milk protein content could be an effective strategy for emissions reduction. The integration of atmospheric transport models with satellite data further refined our emission estimates, significantly enhancing accuracy and spatial resolution. This research underscores the potential of advanced satellite monitoring, machine learning techniques, and atmospheric modeling in improving methane emission assessments within the dairy sector. It emphasizes the critical role of farm-specific characteristics in developing effective mitigation strategies. Future investigations should focus on expanding the dataset and incorporating inversion modeling for more precise emission quantification. Balancing ecological impacts with economic viability will be essential for fostering sustainable dairy farming practices.
Authors: Harry Mayne, Yushi Yang, Adam Mahdi
Abstract: Steering vectors are a promising approach to control the behaviour of large language models. However, their underlying mechanisms remain poorly understood. While sparse autoencoders (SAEs) may offer a potential method to interpret steering vectors, recent findings show that SAE-reconstructed vectors often lack the steering properties of the original vectors. This paper investigates why directly applying SAEs to steering vectors yields misleading decompositions, identifying two reasons: (1) steering vectors fall outside the input distribution for which SAEs are designed, and (2) steering vectors can have meaningful negative projections in feature directions, which SAEs are not designed to accommodate. These limitations hinder the direct use of SAEs for interpreting steering vectors.
Authors: Behnoosh Zamanlooy, Mario Diaz, Shahab Asoodeh
Abstract: Local differential privacy (LDP) is increasingly employed in privacy-preserving machine learning to protect user data before sharing it with an untrusted aggregator. Most LDP methods assume that users possess only a single data record, which is a significant limitation since users often gather extensive datasets (e.g., images, text, time-series data) and frequently have access to public datasets. To address this limitation, we propose a locally private sampling framework that leverages both the private and public datasets of each user. Specifically, we assume each user has two distributions: $p$ and $q$ that represent their private dataset and the public dataset, respectively. The objective is to design a mechanism that generates a private sample approximating $p$ while simultaneously preserving $q$. We frame this objective as a minimax optimization problem using $f$-divergence as the utility measure. We fully characterize the minimax optimal mechanisms for general $f$-divergences provided that $p$ and $q$ are discrete distributions. Remarkably, we demonstrate that this optimal mechanism is universal across all $f$-divergences. Experiments validate the effectiveness of our minimax optimal sampler compared to the state-of-the-art locally private sampler.
Authors: Berfin Simsek, Amire Bendjeddou, Daniel Hsu
Abstract: This work focuses on the gradient flow dynamics of a neural network model that uses correlation loss to approximate a multi-index function on high-dimensional standard Gaussian data. Specifically, the multi-index function we consider is a sum of neurons $f^*(x) \!=\! \sum_{j=1}^k \! \sigma^*(v_j^T x)$ where $v_1, \dots, v_k$ are unit vectors, and $\sigma^*$ lacks the first and second Hermite polynomials in its Hermite expansion. It is known that, for the single-index case ($k\!=\!1$), overcoming the search phase requires polynomial time complexity. We first generalize this result to multi-index functions characterized by vectors in arbitrary directions. After the search phase, it is not clear whether the network neurons converge to the index vectors, or get stuck at a sub-optimal solution. When the index vectors are orthogonal, we give a complete characterization of the fixed points and prove that neurons converge to the nearest index vectors. Therefore, using $n \! \asymp \! k \log k$ neurons ensures finding the full set of index vectors with gradient flow with high probability over random initialization. When $ v_i^T v_j \!=\! \beta \! \geq \! 0$ for all $i \neq j$, we prove the existence of a sharp threshold $\beta_c \!=\! c/(c+k)$ at which the fixed point that computes the average of the index vectors transitions from a saddle point to a minimum. Numerical simulations show that using a correlation loss and a mild overparameterization suffices to learn all of the index vectors when they are nearly orthogonal, however, the correlation loss fails when the dot product between the index vectors exceeds a certain threshold.
Authors: Piyush Jha, Arnav Arora, Vijay Ganesh
Abstract: We introduce LLMStinger, a novel approach that leverages Large Language Models (LLMs) to automatically generate adversarial suffixes for jailbreak attacks. Unlike traditional methods, which require complex prompt engineering or white-box access, LLMStinger uses a reinforcement learning (RL) loop to fine-tune an attacker LLM, generating new suffixes based on existing attacks for harmful questions from the HarmBench benchmark. Our method significantly outperforms existing red-teaming approaches (we compared against 15 of the latest methods), achieving a +57.2% improvement in Attack Success Rate (ASR) on LLaMA2-7B-chat and a +50.3% ASR increase on Claude 2, both models known for their extensive safety measures. Additionally, we achieved a 94.97% ASR on GPT-3.5 and 99.4% on Gemma-2B-it, demonstrating the robustness and adaptability of LLMStinger across open and closed-source models.
Authors: Kushankur Ghosh, Murilo Coelho Naldi, J\"org Sander, Euijin Choo
Abstract: In machine learning and data mining, outliers are data points that significantly differ from the dataset and often introduce irrelevant information that can induce bias in its statistics and models. Therefore, unsupervised methods are crucial to detect outliers if there is limited or no information about them. Global-Local Outlier Scores based on Hierarchies (GLOSH) is an unsupervised outlier detection method within HDBSCAN*, a state-of-the-art hierarchical clustering method. GLOSH estimates outlier scores for each data point by comparing its density to the highest density of the region they reside in the HDBSCAN* hierarchy. GLOSH may be sensitive to HDBSCAN*'s minpts parameter that influences density estimation. With limited knowledge about the data, choosing an appropriate minpts value beforehand is challenging as one or some minpts values may better represent the underlying cluster structure than others. Additionally, in the process of searching for ``potential outliers'', one has to define the number of outliers n a dataset has, which may be impractical and is often unknown. In this paper, we propose an unsupervised strategy to find the ``best'' minpts value, leveraging the range of GLOSH scores across minpts values to identify the value for which GLOSH scores can best identify outliers from the rest of the dataset. Moreover, we propose an unsupervised strategy to estimate a threshold for classifying points into inliers and (potential) outliers without the need to pre-define any value. Our experiments show that our strategies can automatically find the minpts value and threshold that yield the best or near best outlier detection results using GLOSH.
Authors: Tianyi Li, Luca Biferale, Fabio Bonaccorso, Michele Buzzicotti, Luca Centurioni
Abstract: We present a stochastic method for reconstructing missing spatial and velocity data along the trajectories of small objects passively advected by turbulent flows with a wide range of temporal or spatial scales, such as small balloons in the atmosphere or drifters in the ocean. Our approach makes use of conditional generative diffusion models, a recently proposed data-driven machine learning technique. We solve the problem for two paradigmatic open problems, the case of 3D tracers in homogeneous and isotropic turbulence, and 2D trajectories from the NOAA-funded Global Drifter Program. We show that for both cases, our method is able to reconstruct velocity signals retaining non-trivial scale-by-scale properties that are highly non-Gaussian and intermittent. A key feature of our method is its flexibility in dealing with the location and shape of data gaps, as well as its ability to naturally exploit correlations between different components, leading to superior accuracy, with respect to Gaussian process regressions, for both pointwise reconstruction and statistical expressivity. Our method shows promising applications also to a wide range of other Lagrangian problems, including multi-particle dispersion in turbulence, dynamics of charged particles in astrophysics and plasma physics, and pedestrian dynamics.
Authors: Henock M. Mboko, Mouhamadou A. M. T. Balde, Babacar M. Ndiaye
Abstract: We study the analysis of all the movements of the population on the basis of their mobility from one node to another, to observe, measure, and predict the impact of traffic according to this mobility. The frequency of congestion on roads directly or indirectly impacts our economic or social welfare. Our work focuses on exploring some machine learning methods to predict (with a certain probability) traffic in a multimodal transportation network from population mobility data. We analyze the observation of the influence of people's movements on the transportation network and make a likely prediction of congestion on the network based on this observation (historical basis).
Authors: John Chodacki (California Digital Library), Mark Hanhel (figshare), Stefano Iacus (Dataverse), Ryan Scherle (Dryad), Eric Olson (Center for Open Science), Nici Pfeiffer (Center for Open Science), Kristi Holmes (Zenodo), Mohammad Hosseini (Zenodo)
Abstract: The Generalist Repository Ecosystem Initiative (GREI), funded by the NIH, developed an AI taxonomy tailored to data repository roles to guide AI integration across repository management. It categorizes the roles into stages, including acquisition, validation, organization, enhancement, analysis, sharing, and user support, providing a structured framework for implementing AI in repository workflows.
Authors: Pedro Pereira, Paulo Mendes, Jo\~ao Vitorino, Eva Maia, Isabel Pra\c{c}a
Abstract: Artificial Intelligence (AI) has emerged in popularity recently, recording great progress in various industries. However, the environmental impact of AI is a growing concern, in terms of the energy consumption and carbon footprint of Machine Learning (ML) and Deep Learning (DL) models, making essential investigate Green AI, an attempt to reduce the climate impact of AI systems. This paper presents an assessment of different programming languages and Feature Selection (FS) methods to improve computation performance of AI focusing on Network Intrusion Detection (NID) and cyber-attack classification tasks. Experiments were conducted using five ML models - Random Forest, XGBoost, LightGBM, Multi-Layer Perceptron, and Long Short-Term Memory - implemented in four programming languages - Python, Java, R, and Rust - along with three FS methods - Information Gain, Recursive Feature Elimination, and Chi-Square. The obtained results demonstrated that FS plays an important role enhancing the computational efficiency of AI models without compromising detection accuracy, highlighting languages like Python and R, that benefit from a rich AI libraries environment. These conclusions can be useful to design efficient and sustainable AI systems that still provide a good generalization and a reliable detection.
Authors: Ethan Weinberger, Ryan Conrad, Tal Ashuach
Abstract: Genetic screens mediated via CRISPR-Cas9 combined with high-content readouts have emerged as powerful tools for biological discovery. However, computational analyses of these screens come with additional challenges beyond those found with standard scRNA-seq analyses. For example, perturbation-induced variations of interest may be subtle and masked by other dominant source of variation shared with controls, and variable guide efficiency results in some cells not undergoing genetic perturbation despite expressing a guide RNA. While a number of methods have been developed to address the former problem by explicitly disentangling perturbation-induced variations from those shared with controls, less attention has been paid to the latter problem of noisy perturbation labels. To address this issue, here we propose ContrastiveVI+, a generative modeling framework that both disentangles perturbation-induced from non-perturbation-related variations while also inferring whether cells truly underwent genomic edits. Applied to three large-scale Perturb-seq datasets, we find that ContrastiveVI+ better recovers known perturbation-induced variations compared to previous methods while successfully identifying cells that escaped the functional consequences of guide RNA expression. An open-source implementation of our model is available at \url{https://github.com/insitro/contrastive_vi_plus}.
Authors: Nicholas Jeon, Xiaoning Qian, Lamin SaidyKhan, Paul de Figueiredo, Byung-Jun Yoon
Abstract: Long non-coding RNAs (lncRNAs) serve as crucial regulators in numerous biological processes. Although they share sequence similarities with messenger RNAs (mRNAs), lncRNAs perform entirely different roles, providing new avenues for biological research. The emergence of next-generation sequencing technologies has greatly advanced the detection and identification of lncRNA transcripts and deep learning-based approaches have been introduced to classify long non-coding RNAs (lncRNAs). These advanced methods have significantly enhanced the efficiency of identifying lncRNAs. However, many of these methods are devoid of robustness and accuracy due to the extended length of the sequences involved. To tackle this issue, we have introduced a novel pre-trained bidirectional encoder representation called LoRA-BERT. LoRA-BERT is designed to capture the importance of nucleotide-level information during sequence classification, leading to more robust and satisfactory outcomes. In a comprehensive comparison with commonly used sequence prediction tools, we have demonstrated that LoRA-BERT outperforms them in terms of accuracy and efficiency. Our results indicate that, when utilizing the transformer model, LoRA-BERT achieves state-of-the-art performance in predicting both lncRNAs and mRNAs for human and mouse species. Through the utilization of LoRA-BERT, we acquire valuable insights into the traits of lncRNAs and mRNAs, offering the potential to aid in the comprehension and detection of diseases linked to lncRNAs in humans.
Authors: Jihan K. Zaki, Jakub Tomasik, Jade A. McCune, Sabine Bahn, Pietro Li\`o, Oren A. Scherman
Abstract: Surface-enhanced Raman spectroscopy (SERS) is a potential fast and inexpensive method of analyte quantification, which can be combined with deep learning to discover biomarker-disease relationships. This study aims to address present challenges of SERS through a novel SERS bio-quantification framework, including spectral processing, analyte quantification, and model explainability. To this end,serotonin quantification in urine media was assessed as a model task with 682 SERS spectra measured in a micromolar range using cucurbit[8]uril chemical spacers. A denoising autoencoder was utilized for spectral enhancement, and convolutional neural networks (CNN) and vision transformers were utilized for biomarker quantification. Lastly, a novel context representative interpretable model explanations (CRIME) method was developed to suit the current needs of SERS mixture analysis explainability. Serotonin quantification was most efficient in denoised spectra analysed using a convolutional neural network with a three-parameter logistic output layer (mean absolute error = 0.15 {\mu}M, mean percentage error = 4.67%). Subsequently, the CRIME method revealed the CNN model to present six prediction contexts, of which three were associated with serotonin. The proposed framework could unlock a novel, untargeted hypothesis generating method of biomarker discovery considering the rapid and inexpensive nature of SERS measurements, and the potential to identify biomarkers from CRIME contexts.
Authors: Zeyu Bian, Zhengling Qi, Cong Shi, Lan Wang
Abstract: This paper studies offline dynamic pricing without data coverage assumption, thereby allowing for any price including the optimal one not being observed in the offline data. Previous approaches that rely on the various coverage assumptions such as that the optimal prices are observable, would lead to suboptimal decisions and consequently, reduced profits. We address this challenge by framing the problem to a partial identification framework. Specifically, we establish a partial identification bound for the demand parameter whose associated price is unobserved by leveraging the inherent monotonicity property in the pricing problem. We further incorporate pessimistic and opportunistic strategies within the proposed partial identification framework to derive the estimated policy. Theoretically, we establish rate-optimal finite-sample regret guarantees for both strategies. Empirically, we demonstrate the superior performance of the newly proposed methods via a synthetic environment. This research provides practitioners with valuable insights into offline pricing strategies in the challenging no-coverage setting, ultimately fostering sustainable growth and profitability of the company.
Authors: Samuel J. Bell, Mariano Coria Meglioli, Megan Richards, Eduardo S\'anchez, Christophe Ropers, Skyler Wang, Adina Williams, Levent Sagun, Marta R. Costa-juss\`a
Abstract: Text toxicity detection systems exhibit significant biases, producing disproportionate rates of false positives on samples mentioning demographic groups. But what about toxicity detection in speech? To investigate the extent to which text-based biases are mitigated by speech-based systems, we produce a set of high-quality group annotations for the multilingual MuTox dataset, and then leverage these annotations to systematically compare speech- and text-based toxicity classifiers. Our findings indicate that access to speech data during inference supports reduced bias against group mentions, particularly for ambiguous and disagreement-inducing samples. Our results also suggest that improving classifiers, rather than transcription pipelines, is more helpful for reducing group bias. We publicly release our annotations and provide recommendations for future toxicity dataset construction.
Authors: Vitaly Vanchurin
Abstract: We establish a duality relation between Hamiltonian systems and neural network-based learning systems. We show that the Hamilton-Jacobi equations for position and momentum variables correspond to the equations governing the activation dynamics of non-trainable variables and the learning dynamics of trainable variables. The duality is then applied to model various field theories using the activation and learning dynamics of neural networks. For Klein-Gordon fields, the corresponding weight tensor is symmetric, while for Dirac fields, the weight tensor must contain an anti-symmetric tensor factor. The dynamical components of the weight and bias tensors correspond, respectively, to the temporal and spatial components of the gauge field.
Authors: Mohammad Mehdi Morovati, Amin Nikanjam, Foutse Khomh
Abstract: Over the past decade, Deep Learning (DL) has become an integral part of our daily lives. This surge in DL usage has heightened the need for developing reliable DL software systems. Given that fault localization is a critical task in reliability assessment, researchers have proposed several fault localization techniques for DL-based software, primarily focusing on faults within the DL model. While the DL model is central to DL components, there are other elements that significantly impact the performance of DL components. As a result, fault localization methods that concentrate solely on the DL model overlook a large portion of the system. To address this, we introduce FL4Deep, a system-level fault localization approach considering the entire DL development pipeline to effectively localize faults across the DL-based systems. In an evaluation using 100 faulty DL scripts, FL4Deep outperformed four previous approaches in terms of accuracy for three out of six DL-related faults, including issues related to data (84%), mismatched libraries between training and deployment (100%), and loss function (69%). Additionally, FL4Deep demonstrated superior precision and recall in fault localization for five categories of faults including three mentioned fault types in terms of accuracy, plus insufficient training iteration and activation function.
Authors: Ecenaz Erdemir, Kyuhong Park, Michael J. Morais, Vianne R. Gao, Marion Marschalek, Yi Fan
Abstract: As businesses increasingly adopt cloud technologies, they also need to be aware of new security challenges, such as server-side script attacks, to ensure the integrity of their systems and data. These scripts can steal data, compromise credentials, and disrupt operations. Unlike executables with standardized formats (e.g., ELF, PE), scripts are plaintext files with diverse syntax, making them harder to detect using traditional methods. As a result, more sophisticated approaches are needed to protect cloud infrastructures from these evolving threats. In this paper, we propose novel feature extraction and deep learning (DL)-based approaches for static script malware detection, targeting server-side threats. We extract features from plain-text code using two techniques: syntactic code highlighting (SCH) and abstract syntax tree (AST) construction. SCH leverages complex regexes to parse syntactic elements of code, such as keywords, variable names, etc. ASTs generate a hierarchical representation of a program's syntactic structure. We then propose a sequential and a graph-based model that exploits these feature representations to detect script malware. We evaluate our approach on more than 400K server-side scripts in Bash, Python and Perl. We use a balanced dataset of 90K scripts for training, validation, and testing, with the remaining from 400K reserved for further analysis. Experiments show that our method achieves a true positive rate (TPR) up to 81% higher than leading signature-based antivirus solutions, while maintaining a low false positive rate (FPR) of 0.17%. Moreover, our approach outperforms various neural network-based detectors, demonstrating its effectiveness in learning code maliciousness for accurate detection of script malware.
Authors: Sarah E. Harvey, David Lipshutz, Alex H. Williams
Abstract: Neural responses encode information that is useful for a variety of downstream tasks. A common approach to understand these systems is to build regression models or ``decoders'' that reconstruct features of the stimulus from neural responses. Popular neural network similarity measures like centered kernel alignment (CKA), canonical correlation analysis (CCA), and Procrustes shape distance, do not explicitly leverage this perspective and instead highlight geometric invariances to orthogonal or affine transformations when comparing representations. Here, we show that many of these measures can, in fact, be equivalently motivated from a decoding perspective. Specifically, measures like CKA and CCA quantify the average alignment between optimal linear readouts across a distribution of decoding tasks. We also show that the Procrustes shape distance upper bounds the distance between optimal linear readouts and that the converse holds for representations with low participation ratio. Overall, our work demonstrates a tight link between the geometry of neural representations and the ability to linearly decode information. This perspective suggests new ways of measuring similarity between neural systems and also provides novel, unifying interpretations of existing measures.
Authors: Parsa Delavari, Ipek Oruc, Timothy H Murphy
Abstract: The availability of large-scale neuronal population datasets necessitates new methods to model population dynamics and extract interpretable, scientifically translatable insights. Existing deep learning methods often overlook the biological mechanisms underlying population activity and thus exhibit suboptimal performance with neuronal data and provide little to no interpretable information about neurons and their interactions. In response, we introduce SynapsNet, a novel deep-learning framework that effectively models population dynamics and functional interactions between neurons. Within this biologically realistic framework, each neuron, characterized by a latent embedding, sends and receives currents through directed connections. A shared decoder uses the input current, previous neuronal activity, neuron embedding, and behavioral data to predict the population activity in the next time step. Unlike common sequential models that treat population activity as a multichannel time series, SynapsNet applies its decoder to each neuron (channel) individually, with the learnable functional connectivity serving as the sole pathway for information flow between neurons. Our experiments, conducted on mouse cortical activity from publicly available datasets and recorded using the two most common population recording modalities (Ca imaging and Neuropixels) across three distinct tasks, demonstrate that SynapsNet consistently outperforms existing models in forecasting population activity. Additionally, our experiments on both real and synthetic data showed that SynapsNet accurately learns functional connectivity that reveals predictive interactions between neurons.
Authors: Mohak Shah
Abstract: Rapid developments in AI and its adoption across various domains have necessitated a need to build robust guardrails and risk containment plans while ensuring equitable benefits for the betterment of society. The current technology-centered approach has resulted in a fragmented, reactive, and ineffective policy apparatus. This paper highlights the immediate and urgent need to pivot to a society-centered approach to develop comprehensive, coherent, forward-looking AI policy. To this end, we present a Social Outcomes and Priorities centered (SOP) framework for AI policy along with proposals on implementation of its various components. While the SOP framework is presented from a US-centric view, the takeaways are general and applicable globally.
Authors: Jiyao Li, Mingze Ni, Yongshun Gong, Wei Liu
Abstract: Deep learning underpins most of the currently advanced natural language processing (NLP) tasks such as textual classification, neural machine translation (NMT), abstractive summarization and question-answering (QA). However, the robustness of the models, particularly QA models, against adversarial attacks is a critical concern that remains insufficiently explored. This paper introduces QA-Attack (Question Answering Attack), a novel word-level adversarial strategy that fools QA models. Our attention-based attack exploits the customized attention mechanism and deletion ranking strategy to identify and target specific words within contextual passages. It creates deceptive inputs by carefully choosing and substituting synonyms, preserving grammatical integrity while misleading the model to produce incorrect responses. Our approach demonstrates versatility across various question types, particularly when dealing with extensive long textual inputs. Extensive experiments on multiple benchmark datasets demonstrate that QA-Attack successfully deceives baseline QA models and surpasses existing adversarial techniques regarding success rate, semantics changes, BLEU score, fluency and grammar error rate.
Authors: Mohamed Mejri, Chandramouli Amarnath, Abhijit Chatterjee
Abstract: Modern transformer-based encoder-decoder architectures struggle with reasoning tasks due to their inability to effectively extract relational information between input objects (data/tokens). Recent work introduced the Abstractor module, embedded between transformer layers, to address this gap. However, the Abstractor layer while excelling at capturing relational information (pure relational reasoning), faces challenges in tasks that require both object and relational-level reasoning (partial relational reasoning). To address this, we propose RESOLVE, a neuro-vector symbolic architecture that combines object-level features with relational representations in high-dimensional spaces, using fast and efficient operations such as bundling (summation) and binding (Hadamard product) allowing both object-level features and relational representations to coexist within the same structure without interfering with one another. RESOLVE is driven by a novel attention mechanism that operates in a bipolar high dimensional space, allowing fast attention score computation compared to the state-of-the-art. By leveraging this design, the model achieves both low compute latency and memory efficiency. RESOLVE also offers better generalizability while achieving higher accuracy in purely relational reasoning tasks such as sorting as well as partial relational reasoning tasks such as math problem-solving compared to state-of-the-art methods.
Authors: Hui Dai, Ryan Teehan, Mengye Ren
Abstract: Many existing evaluation benchmarks for Large Language Models (LLMs) quickly become outdated due to the emergence of new models and training data. These benchmarks also fall short in assessing how LLM performance changes over time, as they consist of static questions without a temporal dimension. To address these limitations, we propose using future event prediction as a continuous evaluation method to assess LLMs' temporal generalization and forecasting abilities. Our benchmark, Daily Oracle, automatically generates question-answer (QA) pairs from daily news, challenging LLMs to predict "future" event outcomes. Our findings reveal that as pre-training data becomes outdated, LLM performance degrades over time. While Retrieval Augmented Generation (RAG) has the potential to enhance prediction accuracy, the performance degradation pattern persists, highlighting the need for continuous model updates.
Authors: Elena Grigorescu, Young-San Lin, Maoyuan Song
Abstract: Learning-augmented algorithms have been extensively studied across the computer science community in the recent years, driven by advances in machine learning predictors, which can provide additional information to augment classical algorithms. Such predictions are especially powerful in the context of online problems, where decisions have to be made without knowledge of the future, and which traditionally exhibits impossibility results bounding the performance of any online algorithm. The study of learning-augmented algorithms thus aims to use external advice prudently, to overcome classical impossibility results when the advice is accurate, and still perform comparably to the state-of-the-art online algorithms even when the advice is inaccurate. In this paper, we present learning-augmented algorithmic frameworks for two fundamental optimizations settings, extending and generalizing prior works. For online packing with concave objectives, we present a simple but overarching strategy that switches between the advice and the state-of-the-art online algorithm. For online covering with convex objectives, we greatly extend primal-dual methods for online convex covering programs by Azar et al. (FOCS 2016) and previous learning-augmented framework for online covering linear programs from the literature, to many new applications. We show that our algorithms break impossibility results when the advice is accurate, while maintaining comparable performance with state-of-the-art classical online algorithms even when the advice is erroneous.
Authors: Shayekh Bin Islam, Ridwanul Hasan Tanvir, Sihat Afnan
Abstract: Bangla is the seventh most spoken language by a total number of speakers in the world, and yet the development of an automated grammar checker in this language is an understudied problem. Bangla grammatical error detection is a task of detecting sub-strings of a Bangla text that contain grammatical, punctuation, or spelling errors, which is crucial for developing an automated Bangla typing assistant. Our approach involves breaking down the task as a token classification problem and utilizing state-of-the-art transformer-based models. Finally, we combine the output of these models and apply rule-based post-processing to generate a more reliable and comprehensive result. Our system is evaluated on a dataset consisting of over 25,000 texts from various sources. Our best model achieves a Levenshtein distance score of 1.04. Finally, we provide a detailed analysis of different components of our system.
Authors: Neelkamal Bhuyan, Debankur Mukherjee, Adam Wierman
Abstract: We study the multi-agent Smoothed Online Convex Optimization (SOCO) problem, where $N$ agents interact through a communication graph. In each round, each agent $i$ receives a strongly convex hitting cost function $f^i_t$ in an online fashion and selects an action $x^i_t \in \mathbb{R}^d$. The objective is to minimize the global cumulative cost, which includes the sum of individual hitting costs $f^i_t(x^i_t)$, a temporal "switching cost" for changing decisions, and a spatial "dissimilarity cost" that penalizes deviations in decisions among neighboring agents. We propose the first decentralized algorithm for multi-agent SOCO and prove its asymptotic optimality. Our approach allows each agent to operate using only local information from its immediate neighbors in the graph. For finite-time performance, we establish that the optimality gap in competitive ratio decreases with the time horizon $T$ and can be conveniently tuned based on the per-round computation available to each agent. Moreover, our results hold even when the communication graph changes arbitrarily and adaptively over time. Finally, we establish that the computational complexity per round depends only logarithmically on the number of agents and almost linearly on their degree within the graph, ensuring scalability for large-system implementations.
Authors: Hadi Hosseini, Debmalya Mandal, Amrit Puhan
Abstract: An important problem on social information sites is the recovery of ground truth from individual reports when the experts are in the minority. The wisdom of the crowd, i.e. the collective opinion of a group of individuals fails in such a scenario. However, the surprisingly popular (SP) algorithm~\cite{prelec2017solution} can recover the ground truth even when the experts are in the minority, by asking the individuals to report additional prediction reports--their beliefs about the reports of others. Several recent works have extended the surprisingly popular algorithm to an equivalent voting rule (SP-voting) to recover the ground truth ranking over a set of $m$ alternatives. However, we are yet to fully understand when SP-voting can recover the ground truth ranking, and if so, how many samples (votes and predictions) it needs. We answer this question by proposing two rank-order models and analyzing the sample complexity of SP-voting under these models. In particular, we propose concentric mixtures of Mallows and Plackett-Luce models with $G (\ge 2)$ groups. Our models generalize previously proposed concentric mixtures of Mallows models with $2$ groups, and we highlight the importance of $G > 2$ groups by identifying three distinct groups (expert, intermediate, and non-expert) from existing datasets. Next, we provide conditions on the parameters of the underlying models so that SP-voting can recover ground-truth rankings with high probability, and also derive sample complexities under the same. We complement the theoretical results by evaluating SP-voting on simulated and real datasets.
Authors: Biraj Silwal
Abstract: The distributed representations currently used are dense and uninterpretable, leading to interpretations that themselves are relative, overcomplete, and hard to interpret. We propose a method that transforms these word vectors into reduced syntactic representations. The resulting representations are compact and interpretable allowing better visualization and comparison of the word vectors and we successively demonstrate that the drawn interpretations are in line with human judgment. The syntactic representations are then used to create hierarchical word vectors using an incremental learning approach similar to the hierarchical aspect of human learning. As these representations are drawn from pre-trained vectors, the generation process and learning approach are computationally efficient. Most importantly, we find out that syntactic representations provide a plausible interpretation of the vectors and subsequent hierarchical vectors outperform the original vectors in benchmark tests.
Authors: Aoi Ito, Kota Dohi, Yohei Kawaguchi
Abstract: This paper proposes a foundation model called "CLaSP" that can search time series signals using natural language that describes the characteristics of the signals as queries. Previous efforts to represent time series signal data in natural language have had challenges in designing a conventional class of time series signal characteristics, formulating their quantification, and creating a dictionary of synonyms. To overcome these limitations, the proposed method introduces a neural network based on contrastive learning. This network is first trained using the datasets TRUCE and SUSHI, which consist of time series signals and their corresponding natural language descriptions. Previous studies have proposed vocabularies that data analysts use to describe signal characteristics, and SUSHI was designed to cover these terms. We believe that a neural network trained on these datasets will enable data analysts to search using natural language vocabulary. Furthermore, our method does not require a dictionary of predefined synonyms, and it leverages common sense knowledge embedded in a large-scale language model (LLM). Experimental results demonstrate that CLaSP enables natural language search of time series signal data and can accurately learn the points at which signal data changes.
Authors: Hoyoung Lee, Youngsoo Choi, Yuhee Kwon
Abstract: Recent advancements in Large Language Models (LLMs) have the potential to transform financial analytics by integrating numerical and textual data. However, challenges such as insufficient context when fusing multimodal information and the difficulty in measuring the utility of qualitative outputs, which LLMs generate as text, have limited their effectiveness in tasks such as financial forecasting. This study addresses these challenges by leveraging daily reports from securities firms to create high-quality contextual information. The reports are segmented into text-based key factors and combined with numerical data, such as price information, to form context sets. By dynamically updating few-shot examples based on the query time, the sets incorporate the latest information, forming a highly relevant set closely aligned with the query point. Additionally, a crafted prompt is designed to assign scores to the key factors, converting qualitative insights into quantitative results. The derived scores undergo a scaling process, transforming them into real-world values that are used for prediction. Our experiments demonstrate that LLMs outperform time-series models in market forecasting, though challenges such as imperfect reproducibility and limited explainability remain.
Authors: Minh Nguyen, Ehsan Shareghi
Abstract: Language agents have shown promising adaptability in dynamic environments to perform complex tasks. However, despite the versatile knowledge embedded in large language models, these agents still fall short when it comes to tasks that require planning. We introduce STEP, a novel framework designed to efficiently learn from previous experiences to enhance the planning capabilities of language agents in future steps. Concretely, STEP functions through four interconnected components. First, the Planner takes on the task, breaks it down into subtasks and provides relevant insights. Then the Executor generates action candidates, while the Evaluator ensures the actions align with learned rules from previous experiences. Lastly, Memory stores experiences to inform future decisions. In the ScienceWorld benchmark, our results show that STEP consistently outperforms state-of-the-art models, achieving an overall score of 67.4 and successfully completing 12 out of 18 tasks. These findings highlight STEP's potential as a framework for enhancing planning capabilities in language agents, paving the way for more sophisticated task-solving in dynamic environments.
Authors: Zhen-Ting Liu, Shang-Tse Chen
Abstract: Model Inversion (MI) attacks pose a significant threat to the privacy of Deep Neural Networks by recovering training data distribution from well-trained models. While existing defenses often rely on regularization techniques to reduce information leakage, they remain vulnerable to recent attacks. In this paper, we propose the Trapdoor-based Model Inversion Defense (Trap-MID) to mislead MI attacks. A trapdoor is integrated into the model to predict a specific label when the input is injected with the corresponding trigger. Consequently, this trapdoor information serves as the "shortcut" for MI attacks, leading them to extract trapdoor triggers rather than private data. We provide theoretical insights into the impacts of trapdoor's effectiveness and naturalness on deceiving MI attacks. In addition, empirical experiments demonstrate the state-of-the-art defense performance of Trap-MID against various MI attacks without the requirements for extra data or large computational overhead. Our source code is publicly available at https://github.com/ntuaislab/Trap-MID.
Authors: Anton Kuznietsov, Dirk Schweickard, Steven Peters
Abstract: In autonomous driving, object detection is an essential task to perceive the environment by localizing and classifying objects. Most object detection algorithms rely on deep learning for their superior performance. However, their black box nature makes it challenging to ensure safety. In this paper, we propose a first-of-its-kind methodology for statistical analysis of the influence of various factors related to the objects to detect or the environment on the detection performance of both LiDAR- and camera-based 3D object detectors. We perform a univariate analysis between each of the factors and the detection error in order to compare the strength of influence. To better identify potential sources of detection errors, we also analyze the performance in dependency of the influencing factors and examine the interdependencies between the different influencing factors. Recognizing the factors that influence detection performance helps identify robustness issues in the trained object detector and supports the safety approval of object detection systems.
Authors: Ravi Kant Gupta, Dadi Dharani, Shambhavi Shanker, Amit Sethi
Abstract: The advancement of digital pathology, particularly through computational analysis of whole slide images (WSI), is poised to significantly enhance diagnostic precision and efficiency. However, the large size and complexity of WSIs make it difficult to analyze and classify them using computers. This study introduces a novel method for WSI classification by automating the identification and examination of the most informative patches, thus eliminating the need to process the entire slide. Our method involves two-stages: firstly, it extracts only a few patches from the WSIs based on their pathological significance; and secondly, it employs Fisher vectors (FVs) for representing features extracted from these patches, which is known for its robustness in capturing fine-grained details. This approach not only accentuates key pathological features within the WSI representation but also significantly reduces computational overhead, thus making the process more efficient and scalable. We have rigorously evaluated the proposed method across multiple datasets to benchmark its performance against comprehensive WSI analysis and contemporary weakly-supervised learning methodologies. The empirical results indicate that our focused analysis of select patches, combined with Fisher vector representation, not only aligns with, but at times surpasses, the classification accuracy of standard practices. Moreover, this strategy notably diminishes computational load and resource expenditure, thereby establishing an efficient and precise framework for WSI analysis in the realm of digital pathology.
Authors: Fabian Bongratz, Markus Karmann, Adrian Holz, Moritz Bonhoeffer, Viktor Neumaier, Sarah Deli, Benita Schmitz-Koep, Claus Zimmer, Christian Sorg, Melissa Thalhammer, Dennis M Hedderich, Christian Wachinger
Abstract: Meningeal lymphatic vessels (MLVs) are responsible for the drainage of waste products from the human brain. An impairment in their functionality has been associated with aging as well as brain disorders like multiple sclerosis and Alzheimer's disease. However, MLVs have only recently been described for the first time in magnetic resonance imaging (MRI), and their ramified structure renders manual segmentation particularly difficult. Further, as there is no consistent notion of their appearance, human-annotated MLV structures contain a high inter-rater variability that most automatic segmentation methods cannot take into account. In this work, we propose a new rater-aware training scheme for the popular nnU-Net model, and we explore rater-based ensembling strategies for accurate and consistent segmentation of MLVs. This enables us to boost nnU-Net's performance while obtaining explicit predictions in different annotation styles and a rater-based uncertainty estimation. Our final model, MLV$^2$-Net, achieves a Dice similarity coefficient of 0.806 with respect to the human reference standard. The model further matches the human inter-rater reliability and replicates age-related associations with MLV volume.
Authors: Leonidas Askianakis
Abstract: Grasping by a robot in unstructured environments is deemed a critical challenge because of the requirement for effective adaptation to a wide variation in object geometries, material properties, and other environmental factors. In this paper, we propose a novel framework for robotic grasping based on the idea of compressing high-dimensional target and gripper features in a common latent space using a set of autoencoders. Our approach simplifies grasping by using three autoencoders dedicated to the target, the gripper, and a third one that fuses their latent representations. This allows the RL agent to achieve higher learning rates at the initial stages of exploration of a new environment, as well as at non-zero shot grasp attempts. The agent explores the latent space of the third autoencoder for better quality grasp without explicit reconstruction of objects. By implementing the PoWER algorithm into the RL training process, updates on the agent's policy will be made through the perturbation in the reward-weighted latent space. The successful exploration efficiently constrains both position and pose integrity for feasible executions of grasps. We evaluate our system on a diverse set of objects, demonstrating the high success rate in grasping with minimum computational overhead. We found that approach enhances the adaptation of the RL agent by more than 35 \% in simulation experiments.
Authors: Stepan Svirin, Artem Ryzhikov, Saraa Ali, Denis Derkach
Abstract: The application of machine learning (ML) algorithms in the intelligent diagnosis of three-phase engines has the potential to significantly enhance diagnostic performance and accuracy. Traditional methods largely rely on signature analysis, which, despite being a standard practice, can benefit from the integration of advanced ML techniques. In our study, we innovate by combining state of the art algorithms with a novel unsupervised anomaly generation methodology that takes into account physics model of the engine. This hybrid approach leverages the strengths of both supervised ML and unsupervised signature analysis, achieving superior diagnostic accuracy and reliability along with a wide industrial application. Our experimental results demonstrate that this method significantly outperforms existing ML and non-ML state-of-the-art approaches while retaining the practical advantages of an unsupervised methodology. The findings highlight the potential of our approach to significantly contribute to the field of engine diagnostics, offering a robust and efficient solution for real-world applications.
Authors: Yingqi Gao, Yifu Liu, Xiaoxia Li, Xiaorong Shi, Yin Zhu, Yiming Wang, Shiqi Li, Wei Li, Yuntao Hong, Zhiling Luo, Jinyang Gao, Liyu Mou, Yu Li
Abstract: To tackle the challenges of large language model performance in natural language to SQL tasks, we introduce XiYan-SQL, an innovative framework that employs a multi-generator ensemble strategy to improve candidate generation. We introduce M-Schema, a semi-structured schema representation method designed to enhance the understanding of database structures. To enhance the quality and diversity of generated candidate SQL queries, XiYan-SQL integrates the significant potential of in-context learning (ICL) with the precise control of supervised fine-tuning. On one hand, we propose a series of training strategies to fine-tune models to generate high-quality candidates with diverse preferences. On the other hand, we implement the ICL approach with an example selection method based on named entity recognition to prevent overemphasis on entities. The refiner optimizes each candidate by correcting logical or syntactical errors. To address the challenge of identifying the best candidate, we fine-tune a selection model to distinguish nuances of candidate SQL queries. The experimental results on multiple dialect datasets demonstrate the robustness of XiYan-SQL in addressing challenges across different scenarios. Overall, our proposed XiYan-SQL achieves the state-of-the-art execution accuracy of 89.65% on the Spider test set, 69.86% on SQL-Eval, 41.20% on NL2GQL, and a competitive score of 72.23% on the Bird development benchmark. The proposed framework not only enhances the quality and diversity of SQL queries but also outperforms previous methods.
Authors: Felix Stahlberg, Jared Lichtarge, Shankar Kumar
Abstract: We propose a novel parameter-efficient training (PET) method for large language models that adapts models to downstream tasks by optimizing a small subset of the existing model parameters. Unlike prior methods, this subset is not fixed in location but rather which parameters are modified evolves over the course of training. This dynamic parameter selection can yield good performance with many fewer parameters than extant methods. Our method enables a seamless scaling of the subset size across an arbitrary proportion of the total model size, while popular PET approaches like prompt tuning and LoRA cover only a small part of this spectrum. We match or outperform prompt tuning and LoRA in most cases on a variety of NLP tasks (MT, QA, GSM8K, SuperGLUE) for a given parameter budget across different model families and sizes.
Authors: Shijin Gong, Huihang Liu, Xinyu Zhang
Abstract: We consider data-driven inventory and pricing decisions in the feature-based newsvendor problem, where demand is influenced by both price and contextual features and is modeled without any structural assumptions. The unknown demand distribution results in a challenging conditional stochastic optimization problem, further complicated by decision-dependent uncertainty and the integration of features. Inspired by recent advances in deep generative learning, we propose a novel approach leveraging conditional deep generative models (cDGMs) to address these challenges. cDGMs learn the demand distribution and generate probabilistic demand forecasts conditioned on price and features. This generative approach enables accurate profit estimation and supports the design of algorithms for two key objectives: (1) optimizing inventory for arbitrary prices, and (2) jointly determining optimal pricing and inventory levels. We provide theoretical guarantees for our approach, including the consistency of profit estimation and convergence of our decisions to the optimal solution. Extensive simulations-ranging from simple to complex scenarios, including one involving textual features-and a real-world case study demonstrate the effectiveness of our approach. Our method opens a new paradigm in management science and operations research, is adaptable to extensions of the newsvendor and pricing problems, and holds potential for solving other conditional stochastic optimization problems.
Authors: Mojdeh Karbalaee Motalleb, Chafika Benzaid, Tarik Taleb, Marcos Katz, Vahid Shah-Mansouri, JaeSeung Song
Abstract: The evolution of wireless communication systems will be fundamentally impacted by an open radio access network (O-RAN), a new concept defining an intelligent architecture with enhanced flexibility, openness, and the ability to slice services more efficiently. For all its promises, and like any technological advancement, O-RAN is not without risks that need to be carefully assessed and properly addressed to accelerate its wide adoption in future mobile networks. In this paper, we present an in-depth security analysis of the O-RAN architecture, discussing the potential threats that may arise in the different O-RAN architecture layers and their impact on the Confidentiality, Integrity, and Availability (CIA) triad. We also promote the potential of zero trust, Moving Target Defense (MTD), blockchain, and large language models(LLM) technologies in fortifying O-RAN's security posture. Furthermore, we numerically demonstrate the effectiveness of MTD in empowering robust deep reinforcement learning methods for dynamic network slice admission control in the O-RAN architecture. Moreover, we examine the effect of explainable AI (XAI) based on LLMs in securing the system.
Authors: Miguel \^Angelo Rebelo, Jo\~ao Vinagre, Ivo Pereira, \'Alvaro Figueira
Abstract: News recommender systems are hindered by the brief lifespan of articles, as they undergo rapid relevance decay. Recent studies have demonstrated the potential of content-based neural techniques in tackling this problem. However, these models often involve complex neural architectures and often lack consideration for negative examples. In this study, we posit that the careful sampling of negative examples has a big impact on the model's outcome. We devise a negative sampling technique that not only improves the accuracy of the model but also facilitates the decentralization of the recommendation system. The experimental results obtained using the MIND dataset demonstrate that the accuracy of the method under consideration can compete with that of State-of-the-Art models. The utilization of the sampling technique is essential in reducing model complexity and accelerating the training process, while maintaining a high level of accuracy. Finally, we discuss how decentralized models can help improve privacy and scalability.
Authors: Dionysis Christopoulos, Sotiris Spanos, Valsamis Ntouskos, Konstantinos Karantzalos
Abstract: We present TRACE (Transformer-based Risk Assessment for Clinical Evaluation), a novel method for clinical risk assessment based on clinical data, leveraging the self-attention mechanism for enhanced feature interaction and result interpretation. Our approach is able to handle different data modalities, including continuous, categorical and multiple-choice (checkbox) attributes. The proposed architecture features a shared representation of the clinical data obtained by integrating specialized embeddings of each data modality, enabling the detection of high-risk individuals using Transformer encoder layers. To assess the effectiveness of the proposed method, a strong baseline based on non-negative multi-layer perceptrons (MLPs) is introduced. The proposed method outperforms various baselines widely used in the domain of clinical risk assessment, while effectively handling missing values. In terms of explainability, our Transformer-based method offers easily interpretable results via attention weights, further enhancing the clinicians' decision-making process.
Authors: Wenhao Zhang, Matias Quintana, Clayton Miller
Abstract: The indoor environment greatly affects health and well-being; enhancing health and reducing energy use in these settings is a key research focus. With advancing Information and Communication Technology (ICT), recommendation systems and reinforcement learning have emerged as promising methods to induce behavioral changes that improve indoor environments and building energy efficiency. This study employs text-mining and Natural Language Processing (NLP) to examine these approaches in building control and occupant interaction. Analyzing approximately 27,000 articles from the ScienceDirect database, we found extensive use of recommendation systems and reinforcement learning for space optimization, location recommendations, and personalized control suggestions. Despite broad applications, their use in optimizing indoor environments and energy efficiency is limited. Traditional recommendation algorithms are commonly used, but optimizing indoor conditions and energy efficiency often requires advanced machine learning techniques like reinforcement and deep learning. This review highlights the potential for expanding recommender systems and reinforcement learning applications in buildings and indoor environments. Areas for innovation include predictive maintenance, building-related product recommendations, and optimizing environments for specific needs like sleep and productivity enhancements based on user feedback.
Authors: Moaad Khamlich, Federico Pichi, Michele Girfoglio, Annalisa Quaini, Gianluigi Rozza
Abstract: We present a novel reduced-order Model (ROM) that leverages optimal transport (OT) theory and displacement interpolation to enhance the representation of nonlinear dynamics in complex systems. While traditional ROM techniques face challenges in this scenario, especially when data (i.e., observational snapshots) is limited, our method addresses these issues by introducing a data augmentation strategy based on OT principles. The proposed framework generates interpolated solutions tracing geodesic paths in the space of probability distributions, enriching the training dataset for the ROM. A key feature of our approach is its ability to provide a continuous representation of the solution's dynamics by exploiting a virtual-to-real time mapping. This enables the reconstruction of solutions at finer temporal scales than those provided by the original data. To further improve prediction accuracy, we employ Gaussian Process Regression to learn the residual and correct the representation between the interpolated snapshots and the physical solution. We demonstrate the effectiveness of our methodology with atmospheric mesoscale benchmarks characterized by highly nonlinear, advection-dominated dynamics. Our results show improved accuracy and efficiency in predicting complex system behaviors, indicating the potential of this approach for a wide range of applications in computational physics and engineering.
Authors: Sareh Soltani Nejad, Anwar Haque
Abstract: The widespread implementation of urban surveillance systems has necessitated more sophisticated techniques for anomaly detection to ensure enhanced public safety. This paper presents a significant advancement in the field of anomaly detection through the application of Two-Stream Inflated 3D (I3D) Convolutional Networks. These networks substantially outperform traditional 3D Convolutional Networks (C3D) by more effectively extracting spatial and temporal features from surveillance videos, thus improving the precision of anomaly detection. Our research advances the field by implementing a weakly supervised learning framework based on Multiple Instance Learning (MIL), which uniquely conceptualizes surveillance videos as collections of 'bags' that contain instances (video clips). Each instance is innovatively processed through a ranking mechanism that prioritizes clips based on their potential to display anomalies. This novel strategy not only enhances the accuracy and precision of anomaly detection but also significantly diminishes the dependency on extensive manual annotations. Moreover, through meticulous optimization of model settings, including the choice of optimizer, our approach not only establishes new benchmarks in the performance of anomaly detection systems but also offers a scalable and efficient solution for real-world surveillance applications. This paper contributes significantly to the field of computer vision by delivering a more adaptable, efficient, and context-aware anomaly detection system, which is poised to redefine practices in urban surveillance.
Authors: Mustafa K\"ut\"uk, Hamdullah Y\"ucel
Abstract: This paper investigates a numerical solution of Allen-Cahn equation with constant and degenerate mobility, with polynomial and logarithmic energy functionals, with deterministic and random initial functions, and with advective term in one, two, and three spatial dimensions, based on the physics-informed neural network (PINN). To improve the learning capacity of the PINN, we incorporate the energy dissipation property of the Allen-Cahn equation as a penalty term into the loss function of the network. To facilitate the learning process of random initials, we employ a continuous analogue of the initial random condition by utilizing the Fourier series expansion. Adaptive methods from traditional numerical analysis are also integrated to enhance the effectiveness of the proposed PINN. Numerical results indicate a consistent decrease in the discrete energy, while also revealing phenomena such as phase separation and metastability.
Authors: Shabarish Chenakkod, Micha{\l} Derezi\'nski, Xiaoyu Dong
Abstract: An oblivious subspace embedding is a random $m\times n$ matrix $\Pi$ such that, for any $d$-dimensional subspace, with high probability $\Pi$ preserves the norms of all vectors in that subspace within a $1\pm\epsilon$ factor. In this work, we give an oblivious subspace embedding with the optimal dimension $m=\Theta(d/\epsilon^2)$ that has a near-optimal sparsity of $\tilde O(1/\epsilon)$ non-zero entries per column of $\Pi$. This is the first result to nearly match the conjecture of Nelson and Nguyen [FOCS 2013] in terms of the best sparsity attainable by an optimal oblivious subspace embedding, improving on a prior bound of $\tilde O(1/\epsilon^6)$ non-zeros per column [Chenakkod et al., STOC 2024]. We further extend our approach to the non-oblivious setting, proposing a new family of Leverage Score Sparsified embeddings with Independent Columns, which yield faster runtimes for matrix approximation and regression tasks. In our analysis, we develop a new method which uses a decoupling argument together with the cumulant method for bounding the edge universality error of isotropic random matrices. To achieve near-optimal sparsity, we combine this general-purpose approach with new traces inequalities that leverage the specific structure of our subspace embedding construction.
Authors: Jijie Zou, Zhanghao Zhouyin, Dongying Lin, Linfeng Zhang, Shimin Hou, Qiangqiang Gu
Abstract: Quantum transport calculations are essential for understanding and designing nanoelectronic devices, yet the trade-off between accuracy and computational efficiency has long limited their practical applications. We present a general framework that combines the deep learning tight-binding Hamiltonian (DeePTB) approach with the non-equilibrium Green's Function (NEGF) method, enabling efficient quantum transport calculations while maintaining first-principles accuracy. We demonstrate the capabilities of the DeePTB-NEGF framework through two representative applications: comprehensive simulation of break junction systems, where conductance histograms show good agreement with experimental measurements in both metallic contact and single-molecule junction cases; and simulation of carbon nanotube field effect transistors through self-consistent NEGF-Poisson calculations, capturing essential physics including the electrostatic potential and transfer characteristic curves under finite bias conditions. This framework bridges the gap between first-principles accuracy and computational efficiency, providing a powerful tool for high-throughput quantum transport simulations across different scales in nanoelectronics.
Authors: Tianyu Zhou, Pinqiao Wang, Yilin Wu, Hongyang Yang
Abstract: As financial markets grow increasingly complex, there is a rising need for automated tools that can effectively assist human analysts in equity research, particularly within sell-side research. While Generative AI (GenAI) has attracted significant attention in this field, existing AI solutions often fall short due to their narrow focus on technical factors and limited capacity for discretionary judgment. These limitations hinder their ability to adapt to new data in real-time and accurately assess risks, which diminishes their practical value for investors. This paper presents FinRobot, the first AI agent framework specifically designed for equity research. FinRobot employs a multi-agent Chain of Thought (CoT) system, integrating both quantitative and qualitative analyses to emulate the comprehensive reasoning of a human analyst. The system is structured around three specialized agents: the Data-CoT Agent, which aggregates diverse data sources for robust financial integration; the Concept-CoT Agent, which mimics an analysts reasoning to generate actionable insights; and the Thesis-CoT Agent, which synthesizes these insights into a coherent investment thesis and report. FinRobot provides thorough company analysis supported by precise numerical data, industry-appropriate valuation metrics, and realistic risk assessments. Its dynamically updatable data pipeline ensures that research remains timely and relevant, adapting seamlessly to new financial information. Unlike existing automated research tools, such as CapitalCube and Wright Reports, FinRobot delivers insights comparable to those produced by major brokerage firms and fundamental research vendors. We open-source FinRobot at \url{https://github. com/AI4Finance-Foundation/FinRobot}.
URLs: https://github.
Authors: Jiawei Zheng, Petros Papapanagiotou, Jacques D. Fleuriot, Jane Hillston
Abstract: Humans naturally follow distinct patterns when conducting their daily activities, which are driven by established practices and processes, such as production workflows, social norms and daily routines. Human activity recognition (HAR) algorithms usually use neural networks or machine learning techniques to analyse inherent relationships within the data. However, these approaches often overlook the contextual information in which the data are generated, potentially limiting their effectiveness. We propose a novel approach that incorporates process information from context to enhance the HAR performance. Specifically, we align probabilistic events generated by machine learning models with process models derived from contextual information. This alignment adaptively weighs these two sources of information to optimise HAR accuracy. Our experiments demonstrate that our approach achieves better accuracy and Macro F1-score compared to baseline models.
Authors: Kelvyn K. Bladen, Adele Cutler, D. Richard Cutler, Kevin R. Moon
Abstract: Global variable importance measures are commonly used to interpret machine learning model results. Local variable importance techniques assess how variables contribute to individual observations rather than the entire dataset. Current methods typically fail to accurately reflect locally dependent relationships between variables and instead focus on marginal importance values. Additionally, they are not natively adapted for multi-class classification problems. We propose a new model-agnostic method for calculating local variable importance, CLIQUE, that captures locally dependent relationships, contains improvements over permutation-based methods, and can be directly applied to multi-class classification problems. Simulated and real-world examples show that CLIQUE emphasizes locally dependent information and properly reduces bias in regions where variables do not affect the response.
Authors: Reece O'Mahoney, Alexander L. Mitchell, Wanming Yu, Ingmar Posner, Ioannis Havoutis
Abstract: We present a diffusion-based approach to quadrupedal locomotion that simultaneously addresses the limitations of learning and interpolating between multiple skills and of (modes) offline adapting to new locomotion behaviours after training. This is the first framework to apply classifier-free guided diffusion to quadruped locomotion and demonstrate its efficacy by extracting goal-conditioned behaviour from an originally unlabelled dataset. We show that these capabilities are compatible with a multi-skill policy and can be applied with little modification and minimal compute overhead, i.e., running entirely on the robots onboard CPU. We verify the validity of our approach with hardware experiments on the ANYmal quadruped platform.
Authors: Paul-Hieu V. Nguyen, Ryan Yee, Sameer K. Deshpande
Abstract: Current implementations of Bayesian Additive Regression Trees (BART) are based on axis-aligned decision rules that recursively partition the feature space using a single feature at a time. Several authors have demonstrated that oblique trees, whose decision rules are based on linear combinations of features, can sometimes yield better predictions than axis-aligned trees and exhibit excellent theoretical properties. We develop an oblique version of BART that leverages a data-adaptive decision rule prior that recursively partitions the feature space along random hyperplanes. Using several synthetic and real-world benchmark datasets, we systematically compared our oblique BART implementation to axis-aligned BART and other tree ensemble methods, finding that oblique BART was competitive with -- and sometimes much better than -- those methods.
Authors: Drago Plecko
Abstract: Relationships of cause and effect are of prime importance for explaining scientific phenomena. Often, rather than just understanding the effects of causes, researchers also wish to understand how a cause $X$ affects an outcome $Y$ mechanistically -- i.e., what are the causal pathways that are activated between $X$ and $Y$. For analyzing such questions, a range of methods has been developed over decades under the rubric of causal mediation analysis. Traditional mediation analysis focuses on decomposing the average treatment effect (ATE) into direct and indirect effects, and therefore focuses on the ATE as the central quantity. This corresponds to providing explanations for associations in the interventional regime, such as when the treatment $X$ is randomized. Commonly, however, it is of interest to explain associations in the observational regime, and not just in the interventional regime. In this paper, we introduce \text{variation analysis}, an extension of mediation analysis that focuses on the total variation (TV) measure between $X$ and $Y$, written as $\mathrm{E}[Y \mid X=x_1] - \mathrm{E}[Y \mid X=x_0]$. The TV measure encompasses both causal and confounded effects, as opposed to the ATE which only encompasses causal (direct and mediated) variations. In this way, the TV measure is suitable for providing explanations in the natural regime and answering questions such as ``why is $X$ associated with $Y$?''. Our focus is on decomposing the TV measure, in a way that explicitly includes direct, indirect, and confounded variations. Furthermore, we also decompose the TV measure to include interaction terms between these different pathways. Subsequently, interaction testing is introduced, involving hypothesis tests to determine if interaction terms are significantly different from zero. If interactions are not significant, more parsimonious decompositions of the TV measure can be used.
Authors: Daniel P. Jeong, Pranav Mani, Saurabh Garg, Zachary C. Lipton, Michael Oberst
Abstract: Several recent works seek to develop foundation models specifically for medical applications, adapting general-purpose large language models (LLMs) and vision-language models (VLMs) via continued pretraining on publicly available biomedical corpora. These works typically claim that such domain-adaptive pretraining (DAPT) improves performance on downstream medical tasks, such as answering medical licensing exam questions. In this paper, we compare ten public "medical" LLMs and two VLMs against their corresponding base models, arriving at a different conclusion: all medical VLMs and nearly all medical LLMs fail to consistently improve over their base models in the zero-/few-shot prompting and supervised fine-tuning regimes for medical question-answering (QA). For instance, across all tasks and model pairs we consider in the 3-shot setting, medical LLMs only outperform their base models in 22.7% of cases, reach a (statistical) tie in 36.8% of cases, and are significantly worse than their base models in the remaining 40.5% of cases. Our conclusions are based on (i) comparing each medical model head-to-head, directly against the corresponding base model; (ii) optimizing the prompts for each model separately in zero-/few-shot prompting; and (iii) accounting for statistical uncertainty in comparisons. While these basic practices are not consistently adopted in the literature, our ablations show that they substantially impact conclusions. Meanwhile, we find that after fine-tuning on specific QA tasks, medical LLMs can show performance improvements, but the benefits do not carry over to tasks based on clinical notes. Our findings suggest that state-of-the-art general-domain models may already exhibit strong medical knowledge and reasoning capabilities, and offer recommendations to strengthen the conclusions of future studies.
Authors: Debidatta Dwibedi, Yusuf Aytar, Jonathan Tompson, Pierre Sermanet, Andrew Zisserman
Abstract: We discuss some consistent issues on how RepNet has been evaluated in various papers. As a way to mitigate these issues, we report RepNet performance results on different datasets, and release evaluation code and the RepNet checkpoint to obtain these results. Code URL: https://github.com/google-research/google-research/blob/master/repnet/
URLs: https://github.com/google-research/google-research/blob/master/repnet/
Authors: Masahiro Kato, Kei Nakagawa, Kenshi Abe, Tetsuro Morimura, Kentaro Baba
Abstract: This study investigates the mean-variance (MV) trade-off in reinforcement learning (RL), an instance of the sequential decision-making under uncertainty. Our objective is to obtain MV-efficient policies whose means and variances are located on the Pareto efficient frontier with respect to the MV trade-off; under the condition, any increase in the expected reward would necessitate a corresponding increase in variance, and vice versa. To this end, we propose a method that trains our policy to maximize the expected quadratic utility, defined as a weighted sum of the first and second moments of the rewards obtained through our policy. We subsequently demonstrate that the maximizer indeed qualifies as an MV-efficient policy. Previous studies that employed constrained optimization to address the MV trade-off have encountered computational challenges. However, our approach is more computationally efficient as it eliminates the need for gradient estimation of variance, a contributing factor to the double sampling issue observed in existing methodologies. Through experimentation, we validate the efficacy of our approach.
Authors: Hamidreza Behjoo, Michael Chertkov
Abstract: Computing the partition function, $Z$, of an Ising model over a graph of $N$ \enquote{spins} is most likely exponential in $N$. Efficient variational methods, such as Belief Propagation (BP) and Tree Re-Weighted (TRW) algorithms, compute $Z$ approximately by minimizing the respective (BP- or TRW-) free energy. We generalize the variational scheme by building a $\lambda$-fractional interpolation, $Z^{(\lambda)}$, where $\lambda=0$ and $\lambda=1$ correspond to TRW- and BP-approximations, respectively. This fractional scheme -- coined Fractional Belief Propagation (FBP) -- guarantees that in the attractive (ferromagnetic) case $Z^{(TRW)} \geq Z^{(\lambda)} \geq Z^{(BP)}$, and there exists a unique (\enquote{exact}) $\lambda_*$ such that $Z=Z^{(\lambda_*)}$. Generalizing the re-parametrization approach of \citep{wainwright_tree-based_2002} and the loop series approach of \citep{chertkov_loop_2006}, we show how to express $Z$ as a product, $\forall \lambda:\ Z=Z^{(\lambda)}{\tilde Z}^{(\lambda)}$, where the multiplicative correction, ${\tilde Z}^{(\lambda)}$, is an expectation over a node-independent probability distribution built from node-wise fractional marginals. Our theoretical analysis is complemented by extensive experiments with models from Ising ensembles over planar and random graphs of medium and large sizes. Our empirical study yields a number of interesting observations, such as the ability to estimate ${\tilde Z}^{(\lambda)}$ with $O(N^{2::4})$ fractional samples and suppression of variation in $\lambda_*$ estimates with an increase in $N$ for instances from a particular random Ising ensemble, where $[2::4]$ indicates a range from $2$ to $4$. We also discuss the applicability of this approach to the problem of image de-noising.
Authors: Dorian Baudry, Kazuya Suzuki, Junya Honda
Abstract: In this paper we propose a general methodology to derive regret bounds for randomized multi-armed bandit algorithms. It consists in checking a set of sufficient conditions on the sampling probability of each arm and on the family of distributions to prove a logarithmic regret. As a direct application we revisit two famous bandit algorithms, Minimum Empirical Divergence (MED) and Thompson Sampling (TS), under various models for the distributions including single parameter exponential families, Gaussian distributions, bounded distributions, or distributions satisfying some conditions on their moments. In particular, we prove that MED is asymptotically optimal for all these models, but also provide a simple regret analysis of some TS algorithms for which the optimality is already known. We then further illustrate the interest of our approach, by analyzing a new Non-Parametric TS algorithm (h-NPTS), adapted to some families of unbounded reward distributions with a bounded h-moment. This model can for instance capture some non-parametric families of distributions whose variance is upper bounded by a known constant.
Authors: Julian Ruddick, Luis Ramirez Camargo, Muhammad Andy Putratama, Maarten Messagie, Thierry Coosemans
Abstract: Energy management systems (EMS) have traditionally been implemented using rule-based control (RBC) and model predictive control (MPC) methods. However, recent research has explored the use of reinforcement learning (RL) as a promising alternative. This paper introduces TreeC, a machine learning method that utilizes the covariance matrix adaptation evolution strategy metaheuristic algorithm to generate an interpretable EMS modeled as a decision tree. Unlike RBC and MPC approaches, TreeC learns the decision strategy of the EMS based on historical data, adapting the control model to the controlled energy grid. The decision strategy is represented as a decision tree, providing interpretability compared to RL methods that often rely on black-box models like neural networks. TreeC is evaluated against MPC with perfect forecast and RL EMSs in two case studies taken from literature: an electric grid case and a household heating case. In the electric grid case, TreeC achieves an average energy loss and constraint violation score of 19.2, which is close to MPC and RL EMSs that achieve scores of 14.4 and 16.2 respectively. All three methods control the electric grid well especially when compared to the random EMS, which obtains an average score of 12 875. In the household heating case, TreeC performs similarly to MPC on the adjusted and averaged electricity cost and total discomfort (0.033 EUR/m$^2$ and 0.42 Kh for TreeC compared to 0.037 EUR/m$^2$ and 2.91 kH for MPC), while outperforming RL (0.266 EUR/m$^2$ and 24.41 Kh).
Authors: Jenny Hamer, Nicholas Perello, Jake Valladares, Vignesh Viswanathan, Yair Zick
Abstract: Algorithmic recourse is a process that leverages counterfactual explanations, going beyond understanding why a system produced a given classification, to providing a user with actions they can take to change their predicted outcome. Existing approaches to compute such interventions -- known as recourse -- identify a set of points that satisfy some desiderata -- e.g. an intervention in the underlying causal graph, minimizing a cost function, etc. Satisfying these criteria, however, requires extensive knowledge of the underlying model structure, an often unrealistic amount of information in several domains. We propose a data-driven and model-agnostic framework to compute counterfactual explanations. We introduce StEP, a computationally efficient method that offers incremental steps along the data manifold that directs users towards their desired outcome. We show that StEP uniquely satisfies a desirable set of axioms. Furthermore, via a thorough empirical and theoretical investigation, we show that StEP offers provable robustness and privacy guarantees while outperforming popular methods along important metrics.
Authors: Jiashuo Liu, Tianyu Wang, Peng Cui, Hongseok Namkoong
Abstract: Different distribution shifts require different interventions, and algorithms must be grounded in the specific shifts they address. However, methodological development for robust algorithms typically relies on structural assumptions that lack empirical validation. Advocating for an empirically grounded data-driven approach to research, we build an empirical testbed comprising natural shifts across 5 tabular datasets and 60,000 method configurations encompassing imbalanced learning and distributionally robust optimization (DRO) methods. We find $Y|X$-shifts are most prevalent on our testbed, in stark contrast to the heavy focus on $X$ (covariate)-shifts in the ML literature. The performance of robust algorithms varies significantly over shift types, and is no better than that of vanilla methods. To understand why, we conduct an in-depth empirical analysis of DRO methods and find that although often neglected by researchers, implementation details -- such as the choice of underlying model class (e.g., XGBoost) and hyperparameter selection -- have a bigger impact on performance than the ambiguity set or its radius. To further bridge that gap between methodological research and practice, we design case studies that illustrate how such a data-driven, inductive understanding of distribution shifts can enhance both data-centric and algorithmic interventions.
Authors: Jingtong Su, Ya Shi Zhang, Nikolaos Tsilivis, Julia Kempe
Abstract: Neural Collapse refers to the curious phenomenon in the end of training of a neural network, where feature vectors and classification weights converge to a very simple geometrical arrangement (a simplex). While it has been observed empirically in various cases and has been theoretically motivated, its connection with crucial properties of neural networks, like their generalization and robustness, remains unclear. In this work, we study the stability properties of these simplices. We find that the simplex structure disappears under small adversarial attacks, and that perturbed examples "leap" between simplex vertices. We further analyze the geometry of networks that are optimized to be robust against adversarial perturbations of the input, and find that Neural Collapse is a pervasive phenomenon in these cases as well, with clean and perturbed representations forming aligned simplices, and giving rise to a robust simple nearest-neighbor classifier. By studying the propagation of the amount of collapse inside the network, we identify novel properties of both robust and non-robust machine learning models, and show that earlier, unlike later layers maintain reliable simplices on perturbed data. Our code is available at https://github.com/JingtongSu/robust_neural_collapse .
Authors: Mohammad Pedramfar, Vaneet Aggarwal
Abstract: In this paper, we analyze the problem of online convex optimization in different settings, including different feedback types (full-information/semi-bandit/bandit/etc) in either stochastic or non-stochastic setting and different notions of regret (static adversarial regret/dynamic regret/adaptive regret). This is done through a framework which allows us to systematically propose and analyze meta-algorithms for the various settings described above. We show that any algorithm for online linear optimization with fully adaptive adversaries is an algorithm for online convex optimization. We also show that any such algorithm that requires full-information feedback may be transformed to an algorithm with semi-bandit feedback with comparable regret bound. We further show that algorithms that are designed for fully adaptive adversaries using deterministic semi-bandit feedback can obtain similar bounds using only stochastic semi-bandit feedback when facing oblivious adversaries. We use this to describe general meta-algorithms to convert first order algorithms to zeroth order algorithms with comparable regret bounds. Our framework allows us to analyze online optimization in various settings, recovers several results in the literature with a simplified proof technique, and provides new results.
Authors: Lorenzo Noci, Alexandru Meterez, Thomas Hofmann, Antonio Orvieto
Abstract: Recently, there has been growing evidence that if the width and depth of a neural network are scaled toward the so-called rich feature learning limit (\mup and its depth extension), then some hyperparameters -- such as the learning rate -- exhibit transfer from small to very large models. From an optimization perspective, this phenomenon is puzzling, as it implies that the loss landscape is consistently similar across very different model sizes. In this work, we study the landscape through the lens of the loss Hessian, with a focus on its largest eigenvalue (i.e. the sharpness), and find that certain spectral properties under $\mu$P are largely independent of the size of the network, and remain consistent as training progresses. We name this property Super Consistency of the landscape. On the other hand, we show that in the Neural Tangent Kernel (NTK) and other scaling regimes, the sharpness exhibits very different dynamics at different scales. But what causes these differences in the sharpness dynamics? Through a connection between the Hessian's and the NTK's spectrum, we argue that the cause lies in the presence (for $\mu$P) or progressive absence (for the NTK scaling) of feature learning. We corroborate our claims with a substantial suite of experiments, covering a wide range of datasets and architectures: from ResNets and Vision Transformers trained on benchmark vision datasets to Transformers-based language models trained on WikiText.
Authors: Mojtaba Taherisadr, Salma Elmalaki
Abstract: In the evolving landscape of human-centric systems, personalized privacy solutions are becoming increasingly crucial due to the dynamic nature of human interactions. Traditional static privacy models often fail to meet the diverse and changing privacy needs of users. This paper introduces PEaRL, a system designed to enhance privacy preservation by tailoring its approach to individual behavioral patterns and preferences. While incorporating reinforcement learning (RL) for its adaptability, PEaRL primarily focuses on employing an early-exit strategy that dynamically balances privacy protection and system utility. This approach addresses the challenges posed by the variability and evolution of human behavior, which static privacy models struggle to handle effectively. We evaluate PEaRL in two distinct contexts: Smart Home environments and Virtual Reality (VR) Smart Classrooms. The empirical results demonstrate PEaRL's capability to provide a personalized tradeoff between user privacy and application utility, adapting effectively to individual user preferences. On average, across both systems, PEaRL enhances privacy protection by 31%, with a corresponding utility reduction of 24%.
Authors: Philipp Kopper, David R\"ugamer, Raphael Sonabend, Bernd Bischl, Andreas Bender
Abstract: Scoring rules are an established way of comparing predictive performances across model classes. In the context of survival analysis, they require adaptation in order to accommodate censoring. This work investigates using scoring rules for model training rather than evaluation. Doing so, we establish a general framework for training survival models that is model agnostic and can learn event time distributions parametrically or non-parametrically. In addition, our framework is not restricted to any specific scoring rule. While we focus on neural network-based implementations, we also provide proof-of-concept implementations using gradient boosting, generalized additive models, and trees. Empirical comparisons on synthetic and real-world data indicate that scoring rules can be successfully incorporated into model training and yield competitive predictive performance with established time-to-event models.
Authors: Shreyas Chaudhari, Srinivasa Pranav, Jos\'e M. F. Moura
Abstract: Directly parameterizing and learning gradients of functions has widespread significance, with specific applications in inverse problems, generative modeling, and optimal transport. This paper introduces gradient networks (GradNets): novel neural network architectures that parameterize gradients of various function classes. GradNets exhibit specialized architectural constraints that ensure correspondence to gradient functions. We provide a comprehensive GradNet design framework that includes methods for transforming GradNets into monotone gradient networks (mGradNets), which are guaranteed to represent gradients of convex functions. Our results establish that our proposed GradNet (and mGradNet) universally approximate the gradients of (convex) functions. Furthermore, these networks can be customized to correspond to specific spaces of potential functions, including transformed sums of (convex) ridge functions. Our analysis leads to two distinct GradNet architectures, GradNet-C and GradNet-M, and we describe the corresponding monotone versions, mGradNet-C and mGradNet-M. Our empirical results demonstrate that these architectures provide efficient parameterizations and outperform existing methods by up to 15 dB in gradient field tasks and by up to 11 dB in Hamiltonian dynamics learning tasks.
Authors: Ren\'e Heinrich, Lukas Rauch, Bernhard Sick, Christoph Scholz
Abstract: Deep learning models have significantly advanced acoustic bird monitoring by being able to recognize numerous bird species based on their vocalizations. However, traditional deep learning models are black boxes that provide no insight into their underlying computations, limiting their usefulness to ornithologists and machine learning engineers. Explainable models could facilitate debugging, knowledge discovery, trust, and interdisciplinary collaboration. This study introduces AudioProtoPNet, an adaptation of the Prototypical Part Network (ProtoPNet) for multi-label bird sound classification. It is an inherently interpretable model that uses a ConvNeXt backbone to extract embeddings, with the classification layer replaced by a prototype learning classifier trained on these embeddings. The classifier learns prototypical patterns of each bird species' vocalizations from spectrograms of training instances. During inference, audio recordings are classified by comparing them to the learned prototypes in the embedding space, providing explanations for the model's decisions and insights into the most informative embeddings of each bird species. The model was trained on the BirdSet training dataset, which consists of 9,734 bird species and over 6,800 hours of recordings. Its performance was evaluated on the seven test datasets of BirdSet, covering different geographical regions. AudioProtoPNet outperformed the state-of-the-art model Perch, achieving an average AUROC of 0.90 and a cmAP of 0.42, with relative improvements of 7.1% and 16.7% over Perch, respectively. These results demonstrate that even for the challenging task of multi-label bird sound classification, it is possible to develop powerful yet inherently interpretable deep learning models that provide valuable insights for ornithologists and machine learning engineers.
Authors: Andreas Madsen, Himabindu Lakkaraju, Siva Reddy, Sarath Chandar
Abstract: Interpretability is the study of explaining models in understandable terms to humans. At present, interpretability is divided into two paradigms: the intrinsic paradigm, which believes that only models designed to be explained can be explained, and the post-hoc paradigm, which believes that black-box models can be explained. At the core of this debate is how each paradigm ensures its explanations are faithful, i.e., true to the model's behavior. This is important, as false but convincing explanations lead to unsupported confidence in artificial intelligence (AI), which can be dangerous. This paper's position is that we should think about new paradigms while staying vigilant regarding faithfulness. First, by examining the history of paradigms in science, we see that paradigms are constantly evolving. Then, by examining the current paradigms, we can understand their underlying beliefs, the value they bring, and their limitations. Finally, this paper presents 3 emerging paradigms for interpretability. The first paradigm designs models such that faithfulness can be easily measured. Another optimizes models such that explanations become faithful. The last paradigm proposes to develop models that produce both a prediction and an explanation.
Authors: Ivo Petrov, Dimitar I. Dimitrov, Maximilian Baader, Mark Niklas M\"uller, Martin Vechev
Abstract: Federated learning works by aggregating locally computed gradients from multiple clients, thus enabling collaborative training without sharing private client data. However, prior work has shown that the data can actually be recovered by the server using so-called gradient inversion attacks. While these attacks perform well when applied on images, they are limited in the text domain and only permit approximate reconstruction of small batches and short input sequences. In this work, we propose DAGER, the first algorithm to recover whole batches of input text exactly. DAGER leverages the low-rank structure of self-attention layer gradients and the discrete nature of token embeddings to efficiently check if a given token sequence is part of the client data. We use this check to exactly recover full batches in the honest-but-curious setting without any prior on the data for both encoder- and decoder-based architectures using exhaustive heuristic search and a greedy approach, respectively. We provide an efficient GPU implementation of DAGER and show experimentally that it recovers full batches of size up to 128 on large language models (LLMs), beating prior attacks in speed (20x at same batch size), scalability (10x larger batches), and reconstruction quality (ROUGE-1/2 > 0.99).
Authors: Sebastian Zeng, Florian Graf, Martin Uray, Stefan Huber, Roland Kwitt
Abstract: We consider the problem of learning the dynamics in the topology of time-evolving point clouds, the prevalent spatiotemporal model for systems exhibiting collective behavior, such as swarms of insects and birds or particles in physics. In such systems, patterns emerge from (local) interactions among self-propelled entities. While several well-understood governing equations for motion and interaction exist, they are notoriously difficult to fit to data, as most prior work requires knowledge about individual motion trajectories, i.e., a requirement that is challenging to satisfy with an increasing number of entities. To evade such confounding factors, we investigate collective behavior from a $\textit{topological perspective}$, but instead of summarizing entire observation sequences (as done previously), we propose learning a latent dynamical model from topological features $\textit{per time point}$. The latter is then used to formulate a downstream regression task to predict the parametrization of some a priori specified governing equation. We implement this idea based on a latent ODE learned from vectorized (static) persistence diagrams and show that a combination of recent stability results for persistent homology justifies this modeling choice. Various (ablation) experiments not only demonstrate the relevance of each model component but provide compelling empirical evidence that our proposed model - $\textit{Neural Persistence Dynamics}$ - substantially outperforms the state-of-the-art across a diverse set of parameter regression tasks.
Authors: Zhouxing Shi, Qirui Jin, Zico Kolter, Suman Jana, Cho-Jui Hsieh, Huan Zhang
Abstract: Branch-and-bound (BaB) is among the most effective techniques for neural network (NN) verification. However, existing works on BaB for NN verification have mostly focused on NNs with piecewise linear activations, especially ReLU networks. In this paper, we develop a general framework, named GenBaB, to conduct BaB on general nonlinearities to verify NNs with general architectures, based on linear bound propagation for NN verification. To decide which neuron to branch, we design a new branching heuristic which leverages linear bounds as shortcuts to efficiently estimate the potential improvement after branching. To decide nontrivial branching points for general nonlinear functions, we propose to pre-optimize branching points, which can be efficiently leveraged during verification with a lookup table. We demonstrate the effectiveness of our GenBaB on verifying a wide range of NNs, including NNs with activation functions such as Sigmoid, Tanh, Sine and GeLU, as well as NNs involving multi-dimensional nonlinear operations such as multiplications in LSTMs and Vision Transformers. Our framework also allows the verification of general nonlinear computation graphs and enables verification applications beyond simple NNs, particularly for AC Optimal Power Flow (ACOPF). GenBaB is part of the latest $\alpha,\!\beta$-CROWN, the winner of the 4th and the 5th International Verification of Neural Networks Competition (VNN-COMP 2023 and 2024).
Authors: Hongbin Liu, Moyang Guo, Zhengyuan Jiang, Lun Wang, Neil Zhenqiang Gong
Abstract: The increasing realism of synthetic speech, driven by advancements in text-to-speech models, raises ethical concerns regarding impersonation and disinformation. Audio watermarking offers a promising solution via embedding human-imperceptible watermarks into AI-generated audios. However, the robustness of audio watermarking against common/adversarial perturbations remains understudied. We present AudioMarkBench, the first systematic benchmark for evaluating the robustness of audio watermarking against watermark removal and watermark forgery. AudioMarkBench includes a new dataset created from Common-Voice across languages, biological sexes, and ages, 3 state-of-the-art watermarking methods, and 15 types of perturbations. We benchmark the robustness of these methods against the perturbations in no-box, black-box, and white-box settings. Our findings highlight the vulnerabilities of current watermarking techniques and emphasize the need for more robust and fair audio watermarking solutions. Our dataset and code are publicly available at https://github.com/moyangkuo/AudioMarkBench.
Authors: Jianhui Gao, Benson Chou, Zachary R. McCaw, Hilary Thurston, Paul Varghese, Chuan Hong, Jessica Gronsbell
Abstract: Ensuring that machine learning (ML) models are safe, effective, and equitable across all patient groups is essential for clinical decision-making and for preventing the reinforcement of existing health disparities. This review examines notions of fairness used in ML for health, including a review of why ML models can be unfair and how fairness has been quantified in a wide range of real-world examples. We provide an overview of commonly used fairness metrics and supplement our discussion with a case-study of an openly available electronic health record (EHR) dataset. We also discuss the outlook for future research, highlighting current challenges and opportunities in defining fairness in health.
Authors: Yavar Taheri Yeganeh, Mohsen Jafari, Andrea Matta
Abstract: We investigate the application of active inference in developing energy-efficient control agents for manufacturing systems. Active inference, rooted in neuroscience, provides a unified probabilistic framework integrating perception, learning, and action, with inherent uncertainty quantification elements. Our study explores deep active inference, an emerging field that combines deep learning with the active inference decision-making framework. Leveraging a deep active inference agent, we focus on controlling parallel and identical machine workstations to enhance energy efficiency. We address challenges posed by the problem's stochastic nature and delayed policy response by introducing tailored enhancements to existing agent architectures. Specifically, we introduce multi-step transition and hybrid horizon methods to mitigate the need for complex planning. Our experimental results demonstrate the effectiveness of these enhancements and highlight the potential of the active inference-based approach.
Authors: Zahra Gharaee, Scott C. Lowe, ZeMing Gong, Pablo Millan Arias, Nicholas Pellegrino, Austin T. Wang, Joakim Bruslund Haurum, Iuliia Zarubiieva, Lila Kari, Dirk Steinke, Graham W. Taylor, Paul Fieguth, Angel X. Chang
Abstract: As part of an ongoing worldwide effort to comprehend and monitor insect biodiversity, this paper presents the BIOSCAN-5M Insect dataset to the machine learning community and establish several benchmark tasks. BIOSCAN-5M is a comprehensive dataset containing multi-modal information for over 5 million insect specimens, and it significantly expands existing image-based biological datasets by including taxonomic labels, raw nucleotide barcode sequences, assigned barcode index numbers, geographical, and size information. We propose three benchmark experiments to demonstrate the impact of the multi-modal data types on the classification and clustering accuracy. First, we pretrain a masked language model on the DNA barcode sequences of the BIOSCAN-5M dataset, and demonstrate the impact of using this large reference library on species- and genus-level classification performance. Second, we propose a zero-shot transfer learning task applied to images and DNA barcodes to cluster feature embeddings obtained from self-supervised learning, to investigate whether meaningful clusters can be derived from these representation embeddings. Third, we benchmark multi-modality by performing contrastive learning on DNA barcodes, image data, and taxonomic information. This yields a general shared embedding space enabling taxonomic classification using multiple types of information and modalities. The code repository of the BIOSCAN-5M Insect dataset is available at https://github.com/bioscan-ml/BIOSCAN-5M.
Authors: Salva R\"uhling Cachay, Brian Henn, Oliver Watt-Meyer, Christopher S. Bretherton, Rose Yu
Abstract: Data-driven deep learning models are transforming global weather forecasting. It is an open question if this success can extend to climate modeling, where the complexity of the data and long inference rollouts pose significant challenges. Here, we present the first conditional generative model that produces accurate and physically consistent global climate ensemble simulations by emulating a coarse version of the United States' primary operational global forecast model, FV3GFS. Our model integrates the dynamics-informed diffusion framework (DYffusion) with the Spherical Fourier Neural Operator (SFNO) architecture, enabling stable 100-year simulations at 6-hourly timesteps while maintaining low computational overhead compared to single-step deterministic baselines. The model achieves near gold-standard performance for climate model emulation, outperforming existing approaches and demonstrating promising ensemble skill. This work represents a significant advance towards efficient, data-driven climate simulations that can enhance our understanding of the climate system and inform adaptation strategies.
Authors: Sebastian Bieringer, Sascha Diefenbacher, Gregor Kasieczka, Mathias Trabs
Abstract: Recently, combinations of generative and Bayesian machine learning have been introduced in particle physics for both fast detector simulation and inference tasks. These neural networks aim to quantify the uncertainty on the generated distribution originating from limited training statistics. The interpretation of a distribution-wide uncertainty however remains ill-defined. We show a clear scheme for quantifying the calibration of Bayesian generative machine learning models. For a Continuous Normalizing Flow applied to a low-dimensional toy example, we evaluate the calibration of Bayesian uncertainties from either a mean-field Gaussian weight posterior, or Monte Carlo sampling network weights, to gauge their behaviour on unsteady distribution edges. Well calibrated uncertainties can then be used to roughly estimate the number of uncorrelated truth samples that are equivalent to the generated sample and clearly indicate data amplification for smooth features of the distribution.
Authors: Weiheng Zhong, Hadi Meidani
Abstract: Engineering design problems often involve solving parametric Partial Differential Equations (PDEs) under variable PDE parameters and domain geometry. Recently, neural operators have shown promise in learning PDE operators and quickly predicting the PDE solutions. However, training these neural operators typically requires large datasets, the acquisition of which can be prohibitively expensive. To overcome this, physics-informed training offers an alternative way of building neural operators, eliminating the high computational costs associated with Finite Element generation of training data. Nevertheless, current physics-informed neural operators struggle with limitations, either in handling varying domain geometries or varying PDE parameters. In this research, we introduce a novel method, the Physics-Informed Geometry-Aware Neural Operator (PI-GANO), designed to simultaneously generalize across both PDE parameters and domain geometries. We adopt a geometry encoder to capture the domain geometry features, and design a novel pipeline to integrate this component within the existing DCON architecture. Numerical results demonstrate the accuracy and efficiency of the proposed method. All the codes and data related to this work are available on GitHub: https://github.com/WeihengZ/Physics-informed-Neural-Foundation-Operator.
URLs: https://github.com/WeihengZ/Physics-informed-Neural-Foundation-Operator.
Authors: Chang Yu, Yixin Jin, Qianwen Xing, Ye Zhang, Shaobo Guo, Shuchen Meng
Abstract: Bank credit risk is a significant challenge in modern financial transactions, and the ability to identify qualified credit card holders among a large number of applicants is crucial for the profitability of a bank'sbank's credit card business. In the past, screening applicants'applicants' conditions often required a significant amount of manual labor, which was time-consuming and labor-intensive. Although the accuracy and reliability of previously used ML models have been continuously improving, the pursuit of more reliable and powerful AI intelligent models is undoubtedly the unremitting pursuit by major banks in the financial industry. In this study, we used a dataset of over 40,000 records provided by a commercial bank as the research object. We compared various dimensionality reduction techniques such as PCA and T-SNE for preprocessing high-dimensional datasets and performed in-depth adaptation and tuning of distributed models such as LightGBM and XGBoost, as well as deep models like Tabnet. After a series of research and processing, we obtained excellent research results by combining SMOTEENN with these techniques. The experiments demonstrated that LightGBM combined with PCA and SMOTEENN techniques can assist banks in accurately predicting potential high-quality customers, showing relatively outstanding performance compared to other models.
Authors: Maria-Florina Balcan, Anh Tuan Nguyen, Dravyansh Sharma
Abstract: Data-driven algorithm design automatically adapts algorithms to specific application domains, achieving better performance. In the context of parameterized algorithms, this approach involves tuning the algorithm's hyperparameters using problem instances drawn from the problem distribution of the target application domain. This can be achieved by maximizing empirical utilities that measure the algorithms' performance as a function of their hyperparameters, using problem instances. While empirical evidence supports the effectiveness of data-driven algorithm design, providing theoretical guarantees for several parameterized families remains challenging. This is due to the intricate behaviors of their corresponding utility functions, which typically admit piecewise discontinuous structures. In this work, we present refined frameworks for providing learning guarantees for parameterized data-driven algorithm design problems in both distributional and online learning settings. For the distributional learning setting, we introduce the \textit{Pfaffian GJ framework}, an extension of the classical \textit{GJ framework}, that is capable of providing learning guarantees for function classes for which the computation involves Pfaffian functions. Unlike the GJ framework, which is limited to function classes with computation characterized by rational functions, our proposed framework can deal with function classes involving Pfaffian functions, which are much more general and widely applicable. We then show that for many parameterized algorithms of interest, their utility function possesses a \textit{refined piecewise structure}, which automatically translates to learning guarantees using our proposed framework.
Authors: Chengsen Wang, Qi Qi, Jingyu Wang, Haifeng Sun, Zirui Zhuang, Jinming Wu, Jianxin Liao
Abstract: Time series forecasting has played a pivotal role across various industries, including finance, transportation, energy, healthcare, and climate. Due to the abundant seasonal information they contain, timestamps possess the potential to offer robust global guidance for forecasting techniques. However, existing works primarily focus on local observations, with timestamps being treated merely as an optional supplement that remains underutilized. When data gathered from the real world is polluted, the absence of global information will damage the robust prediction capability of these algorithms. To address these problems, we propose a novel framework named GLAFF. Within this framework, the timestamps are modeled individually to capture the global dependencies. Working as a plugin, GLAFF adaptively adjusts the combined weights for global and local information, enabling seamless collaboration with any time series forecasting backbone. Extensive experiments conducted on nine real-world datasets demonstrate that GLAFF significantly enhances the average performance of widely used mainstream forecasting models by 12.5%, surpassing the previous state-of-the-art method by 5.5%.
Authors: Christofel Rio Goenawan
Abstract: In the modern world, the development of Artificial Intelligence (AI) has contributed to improvements in various areas, including automation, computer vision, fraud detection, and more. AI can be leveraged to enhance the efficiency of Autonomous Smart Traffic Management (ASTM) systems and reduce traffic congestion rates. This paper presents an Autonomous Smart Traffic Management (STM) system that uses AI to improve traffic flow rates. The system employs the YOLO V5 Convolutional Neural Network to detect vehicles in traffic management images. Additionally, it predicts the number of vehicles for the next 12 hours using a Recurrent Neural Network with Long Short-Term Memory (RNN-LSTM). The Smart Traffic Management Cycle Length Analysis manages the traffic cycle length based on these vehicle predictions, aided by AI. From the results of the RNN-LSTM model for predicting vehicle numbers over the next 12 hours, we observe that the model predicts traffic with a Mean Squared Error (MSE) of 4.521 vehicles and a Root Mean Squared Error (RMSE) of 2.232 vehicles. After simulating the STM system in the CARLA simulation environment, we found that the Traffic Management Congestion Flow Rate with ASTM (21 vehicles per minute) is 50\% higher than the rate without STM (around 15 vehicles per minute). Additionally, the Traffic Management Vehicle Pass Delay with STM (5 seconds per vehicle) is 70\% lower than without STM (around 12 seconds per vehicle). These results demonstrate that the STM system using AI can increase traffic flow by 50\% and reduce vehicle pass delays by 70\%.
Authors: Ziwei Yang, Zheng Chen, Xin Liu, Rikuto Kotoge, Peng Chen, Yasuko Matsubara, Yasushi Sakurai, Jimeng Sun
Abstract: Retrieving gene functional networks from knowledge databases presents a challenge due to the mismatch between disease networks and subtype-specific variations. Current solutions, including statistical and deep learning methods, often fail to effectively integrate gene interaction knowledge from databases or explicitly learn subtype-specific interactions. To address this mismatch, we propose GeSubNet, which learns a unified representation capable of predicting gene interactions while distinguishing between different disease subtypes. Graphs generated by such representations can be considered subtype-specific networks. GeSubNet is a multi-step representation learning framework with three modules: First, a deep generative model learns distinct disease subtypes from patient gene expression profiles. Second, a graph neural network captures representations of prior gene networks from knowledge databases, ensuring accurate physical gene interactions. Finally, we integrate these two representations using an inference loss that leverages graph generation capabilities, conditioned on the patient separation loss, to refine subtype-specific information in the learned representation. GeSubNet consistently outperforms traditional methods, with average improvements of 30.6%, 21.0%, 20.1%, and 56.6% across four graph evaluation metrics, averaged over four cancer datasets. Particularly, we conduct a biological simulation experiment to assess how the behavior of selected genes from over 11,000 candidates affects subtypes or patient distributions. The results show that the generated network has the potential to identify subtype-specific genes with an 83% likelihood of impacting patient distribution shifts. The GeSubNet resource is available: https://anonymous.4open.science/r/GeSubNet/
Authors: Shicheng Liu, Minghui Zhu
Abstract: Inverse reinforcement learning (IRL) aims to learn a reward function and a corresponding policy that best fit the demonstrated trajectories of an expert. However, current IRL works cannot learn incrementally from an ongoing trajectory because they have to wait to collect at least one complete trajectory to learn. To bridge the gap, this paper considers the problem of learning a reward function and a corresponding policy while observing the initial state-action pair of an ongoing trajectory and keeping updating the learned reward and policy when new state-action pairs of the ongoing trajectory are observed. We formulate this problem as an online bi-level optimization problem where the upper level dynamically adjusts the learned reward according to the newly observed state-action pairs with the help of a meta-regularization term, and the lower level learns the corresponding policy. We propose a novel algorithm to solve this problem and guarantee that the algorithm achieves sub-linear local regret $O(\sqrt{T}+\log T+\sqrt{T}\log T)$. If the reward function is linear, we prove that the proposed algorithm achieves sub-linear regret $O(\log T)$. Experiments are used to validate the proposed algorithm.
Authors: Tao Sun, Xinwang Liu, Kun Yuan
Abstract: This paper investigates the roles of gradient normalization and clipping in ensuring the convergence of Stochastic Gradient Descent (SGD) under heavy-tailed noise. While existing approaches consider gradient clipping indispensable for SGD convergence, we theoretically demonstrate that gradient normalization alone without clipping is sufficient to ensure convergence. Furthermore, we establish that combining gradient normalization with clipping offers significantly improved convergence rates compared to using either technique in isolation, particularly as gradient noise diminishes. With these results, our work provides the first theoretical evidence demonstrating the benefits of gradient normalization in SGD under heavy-tailed noise. Finally, we introduce an accelerated SGD variant that incorporates both gradient normalization and clipping, further enhancing convergence rates under heavy-tailed noise.
Authors: K. Darshana Abeyrathna, Sara El Mekkaoui, Andreas Hafver, Christian Agrell
Abstract: Tsetlin Machines (TMs) have emerged as a compelling alternative to conventional deep learning methods, offering notable advantages such as smaller memory footprint, faster inference, fault-tolerant properties, and interpretability. Although various adaptations of TMs have expanded their applicability across diverse domains, a fundamental gap remains in understanding how TMs quantify uncertainty in their predictions. In response, this paper introduces the Probabilistic Tsetlin Machine (PTM) framework, aimed at providing a robust, reliable, and interpretable approach for uncertainty quantification. Unlike the original TM, the PTM learns the probability of staying on each state of each Tsetlin Automaton (TA) across all clauses. These probabilities are updated using the feedback tables that are part of the TM framework: Type I and Type II feedback. During inference, TAs decide their actions by sampling states based on learned probability distributions, akin to Bayesian neural networks when generating weight values. In our experimental analysis, we first illustrate the spread of the probabilities across TA states for the noisy-XOR dataset. Then we evaluate the PTM alongside benchmark models using both simulated and real-world datasets. The experiments on the simulated dataset reveal the PTM's effectiveness in uncertainty quantification, particularly in delineating decision boundaries and identifying regions of high uncertainty. Moreover, when applied to multiclass classification tasks using the Iris dataset, the PTM demonstrates competitive performance in terms of predictive entropy and expected calibration error, showcasing its potential as a reliable tool for uncertainty estimation. Our findings underscore the importance of selecting appropriate models for accurate uncertainty quantification in predictive tasks, with the PTM offering a particularly interpretable and effective solution.
Authors: Juyoung Yun
Abstract: In deep learning, Residual Networks (ResNets) have proven effective in addressing the vanishing gradient problem, allowing for the successful training of very deep networks. However, skip connections in ResNets can lead to gradient overlap, where gradients from both the learned transformation and the skip connection combine, potentially resulting in overestimated gradients. This overestimation can cause inefficiencies in optimization, as some updates may overshoot optimal regions, affecting weight updates. To address this, we examine Z-score Normalization (ZNorm) as a technique to manage gradient overlap. ZNorm adjusts the gradient scale, standardizing gradients across layers and reducing the negative impact of overlapping gradients. Our experiments demonstrate that ZNorm improves training process, especially in non-convex optimization scenarios common in deep learning, where finding optimal solutions is challenging. These findings suggest that ZNorm can affect the gradient flow, enhancing performance in large-scale data processing where accuracy is critical.
Authors: Kevin Black, Noah Brown, Danny Driess, Adnan Esmail, Michael Equi, Chelsea Finn, Niccolo Fusai, Lachy Groom, Karol Hausman, Brian Ichter, Szymon Jakubczak, Tim Jones, Liyiming Ke, Sergey Levine, Adrian Li-Bell, Mohith Mothukuri, Suraj Nair, Karl Pertsch, Lucy Xiaoyang Shi, James Tanner, Quan Vuong, Anna Walling, Haohuan Wang, Ury Zhilinsky
Abstract: Robot learning holds tremendous promise to unlock the full potential of flexible, general, and dexterous robot systems, as well as to address some of the deepest questions in artificial intelligence. However, bringing robot learning to the level of generality required for effective real-world systems faces major obstacles in terms of data, generalization, and robustness. In this paper, we discuss how generalist robot policies (i.e., robot foundation models) can address these challenges, and how we can design effective generalist robot policies for complex and highly dexterous tasks. We propose a novel flow matching architecture built on top of a pre-trained vision-language model (VLM) to inherit Internet-scale semantic knowledge. We then discuss how this model can be trained on a large and diverse dataset from multiple dexterous robot platforms, including single-arm robots, dual-arm robots, and mobile manipulators. We evaluate our model in terms of its ability to perform tasks in zero shot after pre-training, follow language instructions from people and from a high-level VLM policy, and its ability to acquire new skills via fine-tuning. Our results cover a wide variety of tasks, such as laundry folding, table cleaning, and assembling boxes.
Authors: Heiko Hoffmann
Abstract: Scalar variables, e.g., the orientation of a shape in an image, are commonly predicted using a single output neuron in a neural network. In contrast, the mammalian cortex represents variables with a population of neurons. In this population code, each neuron is most active at its preferred value and shows partial activity for other values. Here, we investigate the benefit of using a population code for the output layer of a neural network. We compare population codes against single-neuron outputs and one-hot vectors. First, we show theoretically and in experiments with synthetic data that population codes improve robustness to input noise in networks of stacked linear layers. Second, we demonstrate the benefit of using population codes to encode ambiguous outputs, such as the pose of symmetric objects. Using the T-LESS dataset of feature-less real-world objects, we show that population codes improve the accuracy of predicting 3D object orientation from image input.
Authors: Mohit Agarwal, Mimi Sun, Chaitanya Kamath, Arbaaz Muslim, Prithul Sarker, Joydeep Paul, Hector Yee, Marcin Sieniek, Kim Jablonski, Yael Mayer, David Fork, Sheila de Guia, Jamie McPike, Adam Boulanger, Tomer Shekel, David Schottlander, Yao Xiao, Manjit Chakravarthy Manukonda, Yun Liu, Neslihan Bulut, Sami Abu-el-haija, Arno Eigenwillig, Parth Kothari, Bryan Perozzi, Monica Bharel, Von Nguyen, Luke Barrington, Niv Efron, Yossi Matias, Greg Corrado, Krish Eswaran, Shruthi Prabhakara, Shravya Shetty, Gautam Prasad
Abstract: Supporting the health and well-being of dynamic populations around the world requires governmental agencies, organizations and researchers to understand and reason over complex relationships between human behavior and local contexts in order to identify high-risk groups and strategically allocate limited resources. Traditional approaches to these classes of problems often entail developing manually curated, task-specific features and models to represent human behavior and the natural and built environment, which can be challenging to adapt to new, or even, related tasks. To address this, we introduce a Population Dynamics Foundation Model (PDFM) that aims to capture the relationships between diverse data modalities and is applicable to a broad range of geospatial tasks. We first construct a geo-indexed dataset for postal codes and counties across the United States, capturing rich aggregated information on human behavior from maps, busyness, and aggregated search trends, and environmental factors such as weather and air quality. We then model this data and the complex relationships between locations using a graph neural network, producing embeddings that can be adapted to a wide range of downstream tasks using relatively simple models. We evaluate the effectiveness of our approach by benchmarking it on 27 downstream tasks spanning three distinct domains: health indicators, socioeconomic factors, and environmental measurements. The approach achieves state-of-the-art performance on all 27 geospatial interpolation tasks, and on 25 out of the 27 extrapolation and super-resolution tasks. We combined the PDFM with a state-of-the-art forecasting foundation model, TimesFM, to predict unemployment and poverty, achieving performance that surpasses fully supervised forecasting. The full set of embeddings and sample code are publicly available for researchers.
Authors: Gaurav Menghani, Ravi Kumar, Sanjiv Kumar
Abstract: One of the core pillars of efficient deep learning methods is architectural improvements such as the residual/skip connection, which has led to significantly better model convergence and quality. Since then the residual connection has become ubiquitous in not just convolutional neural networks but also transformer-based architectures, the backbone of LLMs. In this paper we introduce \emph{Learned Augmented Residual Layer} (LAuReL) -- a novel generalization of the canonical residual connection -- with the goal to be an in-situ replacement of the latter while outperforming on both model quality and footprint metrics. Our experiments show that using \laurel can help boost performance for both vision and language models. For example, on the ResNet-50, ImageNet 1K task, it achieves $60\%$ of the gains from adding an extra layer, while only adding $0.003\%$ more parameters, and matches it while adding $2.6\times$ fewer parameters.
Authors: Yixiu Mao, Qi Wang, Yun Qu, Yuhang Jiang, Xiangyang Ji
Abstract: Offline Reinforcement Learning (RL) suffers from the extrapolation error and value overestimation. From a generalization perspective, this issue can be attributed to the over-generalization of value functions or policies towards out-of-distribution (OOD) actions. Significant efforts have been devoted to mitigating such generalization, and recent in-sample learning approaches have further succeeded in entirely eschewing it. Nevertheless, we show that mild generalization beyond the dataset can be trusted and leveraged to improve performance under certain conditions. To appropriately exploit generalization in offline RL, we propose Doubly Mild Generalization (DMG), comprising (i) mild action generalization and (ii) mild generalization propagation. The former refers to selecting actions in a close neighborhood of the dataset to maximize the Q values. Even so, the potential erroneous generalization can still be propagated, accumulated, and exacerbated by bootstrapping. In light of this, the latter concept is introduced to mitigate the generalization propagation without impeding the propagation of RL learning signals. Theoretically, DMG guarantees better performance than the in-sample optimal policy in the oracle generalization scenario. Even under worst-case generalization, DMG can still control value overestimation at a certain level and lower bound the performance. Empirically, DMG achieves state-of-the-art performance across Gym-MuJoCo locomotion tasks and challenging AntMaze tasks. Moreover, benefiting from its flexibility in both generalization aspects, DMG enjoys a seamless transition from offline to online learning and attains strong online fine-tuning performance.
Authors: William Yue, Bo Liu, Peter Stone
Abstract: In Partially Observable Markov Decision Processes, integrating an agent's history into memory poses a significant challenge for decision-making. Traditional imitation learning, relying on observation-action pairs for expert demonstrations, fails to capture the expert's memory mechanisms used in decision-making. To capture memory processes as demonstrations, we introduce the concept of memory dependency pairs $(p, q)$ indicating that events at time $p$ are recalled for decision-making at time $q$. We introduce AttentionTuner to leverage memory dependency pairs in Transformers and find significant improvements across several tasks compared to standard Transformers when evaluated on Memory Gym and the Long-term Memory Benchmark. Code is available at https://github.com/WilliamYue37/AttentionTuner.
Authors: Davide Buffelli, Jamie McGowan, Wangkun Xu, Alexandru Cioba, Da-shan Shiu, Guillaume Hennequin, Alberto Bernacchia
Abstract: Second-order optimization has been shown to accelerate the training of deep neural networks in many applications, often yielding faster progress per iteration on the training loss compared to first-order optimizers. However, the generalization properties of second-order methods are still being debated. Theoretical investigations have proved difficult to carry out outside the tractable settings of heavily simplified model classes -- thus, the relevance of existing theories to practical deep learning applications remains unclear. Similarly, empirical studies in large-scale models and real datasets are significantly confounded by the necessity to approximate second-order updates in practice. It is often unclear whether the observed generalization behaviour arises specifically from the second-order nature of the parameter updates, or instead reflects the specific structured (e.g.\ Kronecker) approximations used or any damping-based interpolation towards first-order updates. Here, we show for the first time that exact Gauss-Newton (GN) updates take on a tractable form in a class of deep reversible architectures that are sufficiently expressive to be meaningfully applied to common benchmark datasets. We exploit this novel setting to study the training and generalization properties of the GN optimizer. We find that exact GN generalizes poorly. In the mini-batch training setting, this manifests as rapidly saturating progress even on the \emph{training} loss, with parameter updates found to overfit each mini-batchatch without producing the features that would support generalization to other mini-batches. We show that our experiments run in the ``lazy'' regime, in which the neural tangent kernel (NTK) changes very little during the course of training. This behaviour is associated with having no significant changes in neural representations, explaining the lack of generalization.
Authors: Qi Pang, Yuanyuan Yuan, Shuai Wang, Wenting Zheng
Abstract: Vertical federated learning (VFL) system has recently become prominent as a concept to process data distributed across many individual sources without the need to centralize it. Multiple participants collaboratively train models based on their local data in a privacy-aware manner. To date, VFL has become a de facto solution to securely learn a model among organizations, allowing knowledge to be shared without compromising privacy of any individuals. Despite the prosperous development of VFL systems, we find that certain inputs of a participant, named adversarial dominating inputs (ADIs), can dominate the joint inference towards the direction of the adversary's will and force other (victim) participants to make negligible contributions, losing rewards that are usually offered regarding the importance of their contributions in federated learning scenarios. We conduct a systematic study on ADIs by first proving their existence in typical VFL systems. We then propose gradient-based methods to synthesize ADIs of various formats and exploit common VFL systems. We further launch greybox fuzz testing, guided by the saliency score of ``victim'' participants, to perturb adversary-controlled inputs and systematically explore the VFL attack surface in a privacy-preserving manner. We conduct an in-depth study on the influence of critical parameters and settings in synthesizing ADIs. Our study reveals new VFL attack opportunities, promoting the identification of unknown threats before breaches and building more secure VFL systems.
Authors: Lukas Helff, Wolfgang Stammer, Hikaru Shindo, Devendra Singh Dhami, Kristian Kersting
Abstract: Despite the successes of recent developments in visual AI, different shortcomings still exist; from missing exact logical reasoning, to abstract generalization abilities, to understanding complex and noisy scenes. Unfortunately, existing benchmarks, were not designed to capture more than a few of these aspects. Whereas deep learning datasets focus on visually complex data but simple visual reasoning tasks, inductive logic datasets involve complex logical learning tasks, however, lack the visual component. To address this, we propose the diagnostic visual logical learning dataset, V-LoL, that seamlessly combines visual and logical challenges. Notably, we introduce the first instantiation of V-LoL, V-LoL-Train, - a visual rendition of a classic benchmark in symbolic AI, the Michalski train problem. By incorporating intricate visual scenes and flexible logical reasoning tasks within a versatile framework, V-LoL-Train provides a platform for investigating a wide range of visual logical learning challenges. We evaluate a variety of AI systems including traditional symbolic AI, neural AI, as well as neuro-symbolic AI. Our evaluations demonstrate that even SOTA AI faces difficulties in dealing with visual logical learning challenges, highlighting unique advantages and limitations of each methodology. Overall, V-LoL opens up new avenues for understanding and enhancing current abilities in visual logical learning for AI systems.
Authors: Casper Gyurik, Vedran Dunjko
Abstract: Despite significant effort, the quantum machine learning community has only demonstrated quantum learning advantages for artificial cryptography-inspired datasets when dealing with classical data. In this paper we address the challenge of finding learning problems where quantum learning algorithms can achieve a provable exponential speedup over classical learning algorithms. We reflect on computational learning theory concepts related to this question and discuss how subtle differences in definitions can result in significantly different requirements and tasks for the learner to meet and solve. We examine existing learning problems with provable quantum speedups and find that they largely rely on the classical hardness of evaluating the function that generates the data, rather than identifying it. To address this, we present two new learning separations where the classical difficulty primarily lies in identifying the function generating the data. Furthermore, we explore computational hardness assumptions that can be leveraged to prove quantum speedups in scenarios where data is quantum-generated, which implies likely quantum advantages in a plethora of more natural settings (e.g., in condensed matter and high energy physics). We also discuss the limitations of the classical shadow paradigm in the context of learning separations, and how physically-motivated settings such as characterizing phases of matter and Hamiltonian learning fit in the computational learning framework.
Authors: Guilong Peng, Senshan Sun, Zhenwei Xu, Juxin Du, Yangjun Qin, Swellam W. Sharshir, A. W. Kandel, A. E. Kabeel, Nuo Yang
Abstract: Machine learning's application in solar-thermal desalination is limited by data shortage and inconsistent analysis. This study develops an optimized dataset collection and analysis process for the representative solar still. By ultra-hydrophilic treatment on the condensation cover, the dataset collection process reduces the collection time by 83.3%. Over 1,000 datasets are collected, which is nearly one order of magnitude larger than up-to-date works. Then, a new interdisciplinary process flow is proposed. Some meaningful results are obtained that were not addressed by previous studies. It is found that Radom Forest might be a better choice for datasets larger than 1,000 due to both high accuracy and fast speed. Besides, the dataset range affects the quantified importance (weighted value) of factors significantly, with up to a 115% increment. Moreover, the results show that machine learning has a high accuracy on the extrapolation prediction of productivity, where the minimum mean relative prediction error is just around 4%. The results of this work not only show the necessity of the dataset characteristics' effect but also provide a standard process for studying solar-thermal desalination by machine learning, which would pave the way for interdisciplinary study.
Authors: Daoli Zhu, Lei Zhao, Shuzhong Zhang
Abstract: This paper presents a unified analysis for the proximal subgradient method (Prox-SubGrad) type approach to minimize an overall objective of $f(x)+r(x)$, subject to convex constraints, where both $f$ and $r$ are weakly convex, nonsmooth, and non-Lipschitz. Leveraging on the properties of the Moreau envelope of weakly convex functions, we are able to relate error-bound conditions, the growth conditions of the subgradients of the objective, and the behavior of the proximal subgradient iterates on some remarkably broad classes of objective functions. Various existing as well as new bounding conditions are studied, leading to novel iteration complexity results. The terrain of our exploration expands to stochastic proximal subgradient algorithms.
Authors: Xin Bing, Dian Jin, Yuqian Zhang
Abstract: Vintage factor analysis is one important type of factor analysis that aims to first find a low-dimensional representation of the original data, and then to seek a rotation such that the rotated low-dimensional representation is scientifically meaningful. The most widely used vintage factor analysis is the Principal Component Analysis (PCA) followed by the varimax rotation. Despite its popularity, little theoretical guarantee can be provided to date mainly because varimax rotation requires to solve a non-convex optimization over the set of orthogonal matrices. In this paper, we propose a deflation varimax procedure that solves each row of an orthogonal matrix sequentially. In addition to its net computational gain and flexibility, we are able to fully establish theoretical guarantees for the proposed procedure in a broader context. Adopting this new deflation varimax as the second step after PCA, we further analyze this two step procedure under a general class of factor models. Our results show that it estimates the factor loading matrix in the minimax optimal rate when the signal-to-noise-ratio (SNR) is moderate or large. In the low SNR regime, we offer possible improvement over using PCA and the deflation varimax when the additive noise under the factor model is structured. The modified procedure is shown to be minimax optimal in all SNR regimes. Our theory is valid for finite sample and allows the number of the latent factors to grow with the sample size as well as the ambient dimension to grow with, or even exceed, the sample size. Extensive simulation and real data analysis further corroborate our theoretical findings.
Authors: Haolin Liu, Rajmohan Rajaraman, Ravi Sundaram, Anil Vullikanti, Omer Wasim, Haifeng Xu
Abstract: Consider public health officials aiming to spread awareness about a new vaccine in a community interconnected by a social network. How can they distribute information with minimal resources, so as to avoid polarization and ensure community-wide convergence of opinion? To tackle such challenges, we initiate the study of sample complexity of opinion convergence in networks. Our framework is built on the recognized opinion formation game, where we regard the opinion of each agent as a data-derived model, unlike previous works that treat opinions as data-independent scalars. The opinion model for every agent is initially learned from its local samples and evolves game-theoretically as all agents communicate with neighbors and revise their models towards an equilibrium. Our focus is on the sample complexity needed to ensure that the opinions converge to an equilibrium such that the final model of every agent has low generalization error. Our paper has two main technical results. First, we present a novel polynomial time optimization framework to quantify the total sample complexity for arbitrary networks, when the underlying learning problem is (generalized) linear regression. Second, we leverage this optimization to study the network gain which measures the improvement of sample complexity when learning over a network compared to that in isolation. Towards this end, we derive network gain bounds for various network classes including cliques, star graphs, and random regular graphs. Additionally, our framework provides a method to study sample distribution within the network, suggesting that it is sufficient to allocate samples inversely to the degree. Empirical results on both synthetic and real-world networks strongly support our theoretical findings.
Authors: Noah D. Brenowitz, Yair Cohen, Jaideep Pathak, Ankur Mahesh, Boris Bonev, Thorsten Kurth, Dale R. Durran, Peter Harrington, Michael S. Pritchard
Abstract: Since the weather is chaotic, forecasts aim to predict the distribution of future states rather than make a single prediction. Recently, multiple data driven weather models have emerged claiming breakthroughs in skill. However, these have mostly been benchmarked using deterministic skill scores, and little is known about their probabilistic skill. Unfortunately, it is hard to fairly compare AI weather models in a probabilistic sense, since variations in choice of ensemble initialization, definition of state, and noise injection methodology become confounding. Moreover, even obtaining ensemble forecast baselines is a substantial engineering challenge given the data volumes involved. We sidestep both problems by applying a decades-old idea -- lagged ensembles -- whereby an ensemble can be constructed from a moderately-sized library of deterministic forecasts. This allows the first parameter-free intercomparison of leading AI weather models' probabilistic skill against an operational baseline. The results reveal that two leading AI weather models, i.e. GraphCast and Pangu, are tied on the probabilistic CRPS metric even though the former outperforms the latter in deterministic scoring. We also reveal how multiple time-step loss functions, which many data-driven weather models have employed, are counter-productive: they improve deterministic metrics at the cost of increased dissipation, deteriorating probabilistic skill. This is confirmed through ablations applied to a spherical Fourier Neural Operator (SFNO) approach to AI weather forecasting. Separate SFNO ablations modulating effective resolution reveal it has a useful effect on ensemble dispersion relevant to achieving good ensemble calibration. We hope these and forthcoming insights from lagged ensembles can help guide the development of AI weather forecasts and have thus shared the diagnostic code.
Authors: Hanwen Zhang, Qingyi Si, Peng Fu, Zheng Lin, Weiping Wang
Abstract: Table-based Fact Verification (TFV) aims to extract the entailment relation between statements and structured tables. Existing TFV methods based on small-scaled models suffer from insufficient labeled data and weak zero-shot ability. Recently, the appearance of Large Language Models (LLMs) has gained lots of attraction in research fields. They have shown powerful zero-shot and in-context learning abilities on several NLP tasks, but their potential on TFV is still unknown. In this work, we implement a preliminary study about whether LLMs are table-based fact-checkers. In detail, we design diverse prompts to explore how the in-context learning can help LLMs in TFV, i.e., zero-shot and few-shot TFV capability. Besides, we carefully design and construct TFV instructions to study the performance gain brought by the instruction tuning of LLMs. Experimental results demonstrate that LLMs can achieve acceptable results on zero-shot and few-shot TFV with prompt engineering, while instruction-tuning can stimulate the TFV capability significantly. We also make some valuable findings about the format of zero-shot prompts and the number of in-context examples. Finally, we analyze some possible directions to promote the accuracy of TFV via LLMs, which is beneficial to further research of table reasoning.
Authors: Zhiyuan Hu, Chumin Liu, Xidong Feng, Yilun Zhao, See-Kiong Ng, Anh Tuan Luu, Junxian He, Pang Wei Koh, Bryan Hooi
Abstract: In the face of uncertainty, the ability to *seek information* is of fundamental importance. In many practical applications, such as medical diagnosis and troubleshooting, the information needed to solve the task is not initially given and has to be actively sought by asking follow-up questions (for example, a doctor asking a patient for more details about their symptoms). In this work, we introduce Uncertainty of Thoughts (UoT), an algorithm to augment large language models with the ability to actively seek information by asking effective questions. UoT combines 1) an *uncertainty-aware simulation approach* which enables the model to simulate possible future scenarios and how likely they are to occur, 2) *uncertainty-based rewards* motivated by information gain which incentivizes the model to seek information, and 3) a *reward propagation scheme* to select the optimal question to ask in a way that maximizes the expected reward. In experiments on medical diagnosis, troubleshooting, and the `20 Questions` game, UoT achieves an average performance improvement of 38.1% in the rate of successful task completion across multiple LLMs compared with direct prompting and also improves efficiency (i.e., the number of questions needed to complete the task). Our code has been released [here](https://github.com/zhiyuanhubj/UoT)
Authors: Alban Puech, Tristan Rigaut, William Templier, Maud Tournoud
Abstract: This paper introduces an Electric Vehicle Charging Station (EVCS) model that incorporates real-world constraints, such as slot power limitations, contract threshold overruns penalties, or early disconnections of electric vehicles (EVs). We propose a formulation of the problem of EVCS control under uncertainty, and implement two Multi-Stage Stochastic Programming approaches that leverage user-provided information, namely, Model Predictive Control and Two-Stage Stochastic Programming. The model addresses uncertainties in charging session start and end times, as well as in energy demand. A user's behavior model based on a sojourn-time-dependent stochastic process enhances cost reduction while maintaining customer satisfaction. The benefits of the two proposed methods are showcased against two baselines over a 22-day simulation using a real-world dataset. The two-stage approach demonstrates robustness against early disconnections by considering a wider range of uncertainty scenarios for optimization. The algorithm prioritizing user satisfaction over electricity cost achieves a 20% and 36% improvement in two user satisfaction metrics compared to an industry-standard baseline. Additionally, the algorithm striking the best balance between cost and user satisfaction exhibits a mere 3% relative cost increase compared to the theoretically optimal baseline - for which the nonanticipativity constraint is relaxed - while attaining 94% and 84% of the user satisfaction performance in the two used satisfaction metrics.
Authors: Qi Pang, Shengyuan Hu, Wenting Zheng, Virginia Smith
Abstract: Advances in generative models have made it possible for AI-generated text, code, and images to mirror human-generated content in many applications. Watermarking, a technique that aims to embed information in the output of a model to verify its source, is useful for mitigating the misuse of such AI-generated content. However, we show that common design choices in LLM watermarking schemes make the resulting systems surprisingly susceptible to attack -- leading to fundamental trade-offs in robustness, utility, and usability. To navigate these trade-offs, we rigorously study a set of simple yet effective attacks on common watermarking systems, and propose guidelines and defenses for LLM watermarking in practice.
Authors: John C. Duchi, Suyash Gupta, Kuanhao Jiang, Pragya Sur
Abstract: We address the challenge of constructing valid confidence intervals and sets in problems of prediction across multiple environments. We investigate two types of coverage suitable for these problems, extending the jackknife and split-conformal methods to show how to obtain distribution-free coverage in such non-traditional, potentially hierarchical data-generating scenarios. We demonstrate a novel resizing method to adapt to problem difficulty, which applies both to existing approaches for predictive inference and the methods we develop; this reduces prediction set sizes using limited information from the test environment, a key to the methods' practical performance, which we evaluate through neurochemical sensing and species classification datasets. Our contributions also include extensions for settings with non-real-valued responses, a theory of consistency for predictive inference in these general problems, and insights on the limits of conditional coverage.
Authors: Chieh Hubert Lin, Changil Kim, Jia-Bin Huang, Qinbo Li, Chih-Yao Ma, Johannes Kopf, Ming-Hsuan Yang, Hung-Yu Tseng
Abstract: Neural Radiance Field (NeRF) is a representation for 3D reconstruction from multi-view images. Despite some recent work showing preliminary success in editing a reconstructed NeRF with diffusion prior, they remain struggling to synthesize reasonable geometry in completely uncovered regions. One major reason is the high diversity of synthetic contents from the diffusion model, which hinders the radiance field from converging to a crisp and deterministic geometry. Moreover, applying latent diffusion models on real data often yields a textural shift incoherent to the image condition due to auto-encoding errors. These two problems are further reinforced with the use of pixel-distance losses. To address these issues, we propose tempering the diffusion model's stochasticity with per-scene customization and mitigating the textural shift with masked adversarial training. During the analyses, we also found the commonly used pixel and perceptual losses are harmful in the NeRF inpainting task. Through rigorous experiments, our framework yields state-of-the-art NeRF inpainting results on various real-world scenes. Project page: https://hubert0527.github.io/MALD-NeRF
Authors: Weiheng Zhong, Hadi Meidani
Abstract: Solving parametric Partial Differential Equations (PDEs) for a broad range of parameters is a critical challenge in scientific computing. To this end, neural operators, which \textcolor{black}{predicts the PDE solution with variable PDE parameter inputs}, have been successfully used. However, the training of neural operators typically demands large training datasets, the acquisition of which can be prohibitively expensive. To address this challenge, physics-informed training can offer a cost-effective strategy. However, current physics-informed neural operators face limitations, either in handling irregular domain shapes or in in generalizing to various discrete representations of PDE parameters. In this research, we introduce a novel physics-informed model architecture which can generalize to various discrete representations of PDE parameters and irregular domain shapes. Particularly, inspired by deep operator neural networks, our model involves a discretization-independent learning of parameter embedding repeatedly, and this parameter embedding is integrated with the response embeddings through multiple compositional layers, for more expressivity. Numerical results demonstrate the accuracy and efficiency of the proposed method. All the codes and data related to this work are available on GitHub: https://github.com/WeihengZ/PI-DCON.
Authors: Zhicheng Ding, Panfeng Li, Qikai Yang, Siyang Li, Qingtian Gong
Abstract: This paper presents a novel contribution to the field of regional style transfer. Existing methods often suffer from the drawback of applying style homogeneously across the entire image, leading to stylistic inconsistencies or foreground object twisted when applied to image with foreground elements such as person figures. To address this limitation, we propose a new approach that leverages a segmentation network to precisely isolate foreground objects within the input image. Subsequently, style transfer is applied exclusively to the background region. The isolated foreground objects are then carefully reintegrated into the style-transferred background. To enhance the visual coherence between foreground and background, a color transfer step is employed on the foreground elements prior to their rein-corporation. Finally, we utilize feathering techniques to achieve a seamless amalgamation of foreground and background, resulting in a visually unified and aesthetically pleasing final composition. Extensive evaluations demonstrate that our proposed approach yields significantly more natural stylistic transformations compared to conventional methods.
Authors: Abhishek Divekar, Greg Durrett
Abstract: It is often desirable to distill the capabilities of large language models (LLMs) into smaller student models due to compute and memory constraints. One way to do this for classification tasks is via dataset synthesis, which can be accomplished by generating examples of each label from the LLM. Prior approaches to synthesis use few-shot prompting, which relies on the LLM's parametric knowledge to generate usable examples. However, this leads to issues of repetition, bias towards popular entities, and stylistic differences from human text. In this work, we propose Synthesize by Retrieval and Refinement (SynthesizRR), which uses retrieval augmentation to introduce variety into the dataset synthesis process: as retrieved passages vary, the LLM is seeded with different content to generate its examples. We empirically study the synthesis of six datasets, covering topic classification, sentiment analysis, tone detection, and humor, requiring complex synthesis strategies. We find that SynthesizRR greatly improves lexical and semantic diversity, similarity to human-written text, and distillation performance, when compared to 32-shot prompting and four prior approaches. We release our code to perform all steps at https://github.com/amazon-science/synthesizrr
Authors: Satwik Kundu, Swaroop Ghosh
Abstract: The high expenses imposed by current quantum cloud providers, coupled with the escalating need for quantum resources, may incentivize the emergence of cheaper cloud-based quantum services from potentially untrusted providers. Deploying or hosting quantum models, such as Quantum Neural Networks (QNNs), on these untrusted platforms introduces a myriad of security concerns, with the most critical one being model theft. This vulnerability stems from the cloud provider's full access to these circuits during training and/or inference. In this work, we introduce STIQ, a novel ensemble-based strategy designed to safeguard QNNs against such cloud-based adversaries. Our method innovatively trains two distinct QNNs concurrently, hosting them on same or different platforms, in a manner that each network yields obfuscated outputs rendering the individual QNNs ineffective for adversaries operating within cloud environments. However, when these outputs are combined locally (using an aggregate function), they reveal the correct result. Through extensive experiments across various QNNs and datasets, our technique has proven to effectively masks the accuracy and losses of the individually hosted models by upto $76\%$, albeit at the expense of $\leq 2\times$ increase in the total computational overhead. This trade-off, however, is a small price to pay for the enhanced security and integrity of QNNs in a cloud-based environment prone to untrusted adversaries. We also demonstrated STIQ's practical application by evaluating it on multiple real quantum hardwares, showing that STIQ achieves up to $\approx 70\%$ obfuscation, with combined performance similar to an unobfuscated model.
Authors: Scott Pesme, Radu-Alexandru Dragomir, Nicolas Flammarion
Abstract: We examine the continuous-time counterpart of mirror descent, namely mirror flow, on classification problems which are linearly separable. Such problems are minimised `at infinity' and have many possible solutions; we study which solution is preferred by the algorithm depending on the mirror potential. For exponential tailed losses and under mild assumptions on the potential, we show that the iterates converge in direction towards a $\phi_\infty$-maximum margin classifier. The function $\phi_\infty$ is the \textit{horizon function} of the mirror potential and characterises its shape `at infinity'. When the potential is separable, a simple formula allows to compute this function. We analyse several examples of potentials and provide numerical experiments highlighting our results.
Authors: Wanyu Bian, Panfeng Li, Mengyao Zheng, Chihang Wang, Anying Li, Ying Li, Haowei Ni, Zixuan Zeng
Abstract: This paper analyzes conventional and deep learning methods for eliminating electromagnetic interference (EMI) in MRI systems. We compare traditional analytical and adaptive techniques with advanced deep learning approaches. Key strengths and limitations of each method are highlighted. Recent advancements in active EMI elimination, such as external EMI receiver coils, are discussed alongside deep learning methods, which show superior EMI suppression by leveraging neural networks trained on MRI data. While deep learning improves EMI elimination and diagnostic capabilities, it introduces security and safety concerns, particularly in commercial applications. A balanced approach, integrating conventional reliability with deep learning's advanced capabilities, is proposed for more effective EMI suppression in MRI systems.
Authors: Fatemeh Alipour, Kathleen A. Hill, Lila Kari
Abstract: This study proposes CGRclust, a novel combination of unsupervised twin contrastive clustering of Chaos Game Representations (CGR) of DNA sequences, with convolutional neural networks (CNNs). To the best of our knowledge, CGRclust is the first method to use unsupervised learning for image classification (herein applied to two-dimensional CGR images) for clustering datasets of DNA sequences. CGRclust overcomes the limitations of traditional sequence classification methods by leveraging unsupervised twin contrastive learning to detect distinctive sequence patterns, without requiring DNA sequence alignment or biological/taxonomic labels. CGRclust accurately clustered twenty-five diverse datasets, with sequence lengths ranging from 664 bp to 100 kbp, including mitochondrial genomes of fish, fungi, and protists, as well as viral whole genome assemblies and synthetic DNA sequences. Compared with three recent clustering methods for DNA sequences (DeLUCS, iDeLUCS, and MeShClust v3.0.), CGRclust is the only method that surpasses 81.70% accuracy across all four taxonomic levels tested for mitochondrial DNA genomes of fish. Moreover, CGRclust also consistently demonstrates superior performance across all the viral genomic datasets. The high clustering accuracy of CGRclust on these twenty-five datasets, which vary significantly in terms of sequence length, number of genomes, number of clusters, and level of taxonomy, demonstrates its robustness, scalability, and versatility.
Authors: Yangyi Chen, Xingyao Wang, Hao Peng, Heng Ji
Abstract: We present SOLO, a single transformer for Scalable visiOn-Language mOdeling. Current large vision-language models (LVLMs) such as LLaVA mostly employ heterogeneous architectures that connect pre-trained visual encoders with large language models (LLMs) to facilitate visual recognition and complex reasoning. Although achieving remarkable performance with relatively lightweight training, we identify four primary scalability limitations: (1) The visual capacity is constrained by pre-trained visual encoders, which are typically an order of magnitude smaller than LLMs. (2) The heterogeneous architecture complicates the use of established hardware and software infrastructure. (3) Study of scaling laws on such architecture must consider three separate components - visual encoder, connector, and LLMs, which complicates the analysis. (4) The use of existing visual encoders typically requires following a pre-defined specification of image inputs pre-processing, for example, by reshaping inputs to fixed-resolution square images, which presents difficulties in processing and training on high-resolution images or those with unusual aspect ratio. A unified single Transformer architecture, like SOLO, effectively addresses these scalability concerns in LVLMs; however, its limited adoption in the modern context likely stems from the absence of reliable training recipes that balance both modalities and ensure stable training for billion-scale models. In this paper, we introduce the first open-source training recipe for developing SOLO, an open-source 7B LVLM using moderate academic resources. The training recipe involves initializing from LLMs, sequential pre-training on ImageNet and web-scale data, and instruction fine-tuning on our curated high-quality datasets. On extensive evaluation, SOLO demonstrates performance comparable to LLaVA-v1.5-7B, particularly excelling in visual mathematical reasoning.
Authors: St\'ephane Vujasinovi\'c, Stefan Becker, Sebastian Bullinger, Norbert Scherer-Negenborn, Michael Arens, Rainer Stiefelhagen
Abstract: In this paper, we introduce a variant of video object segmentation (VOS) that bridges interactive and semi-automatic approaches, termed Lazy Video Object Segmentation (ziVOS). In contrast, to both tasks, which handle video object segmentation in an off-line manner (i.e., pre-recorded sequences), we propose through ziVOS to target online recorded sequences. Here, we strive to strike a balance between performance and robustness for long-term scenarios by soliciting user feedback's on-the-fly during the segmentation process. Hence, we aim to maximize the tracking duration of an object of interest, while requiring minimal user corrections to maintain tracking over an extended period. We propose a competitive baseline, i.e., Lazy-XMem, as a reference for future works in ziVOS. Our proposed approach uses an uncertainty estimation of the tracking state to determine whether a user interaction is necessary to refine the model's prediction. To quantitatively assess the performance of our method and the user's workload, we introduce complementary metrics alongside those already established in the field. We evaluate our approach using the recently introduced LVOS dataset, which offers numerous long-term videos. Our code is publicly available at https://github.com/Vujas-Eteph/LazyXMem.
Authors: Steven A. Frank
Abstract: A biological circuit is a neural or biochemical cascade, taking inputs and producing outputs. How have biological circuits learned to solve environmental challenges over the history of life? The answer certainly follows Dobzhansky's famous quote that ``nothing in biology makes sense except in the light of evolution.'' But that quote leaves out the mechanistic basis by which natural selection's trial-and-error learning happens, which is exactly what we have to understand. How does the learning process that designs biological circuits actually work? How much insight can we gain about the form and function of biological circuits by studying the processes that have made those circuits? Because life's circuits must often solve the same problems as those faced by machine learning, such as environmental tracking, homeostatic control, dimensional reduction, or classification, we can begin by considering how machine learning designs computational circuits to solve problems. We can then ask: How much insight do those computational circuits provide about the design of biological circuits? How much does biology differ from computers in the particular circuit designs that it uses to solve problems? This article steps through two classic machine learning models to set the foundation for analyzing broad questions about the design of biological circuits. One insight is the surprising power of randomly connected networks. Another is the central role of internal models of the environment embedded within biological circuits, illustrated by a model of dimensional reduction and trend prediction. Overall, many challenges in biology have machine learning analogs, suggesting hypotheses about how biology's circuits are designed.
Authors: Lun Ai, Stephen H. Muggleton, Shi-shun Liang, Geoff S. Baldwin
Abstract: We apply logic-based machine learning techniques to facilitate cellular engineering and drive biological discovery, based on comprehensive databases of metabolic processes called genome-scale metabolic network models (GEMs). Predicted host behaviours are not always correctly described by GEMs. Learning the intricate genetic interactions within GEMs presents computational and empirical challenges. To address these, we describe a novel approach called Boolean Matrix Logic Programming (BMLP) by leveraging boolean matrices to evaluate large logic programs. We introduce a new system, $BMLP_{active}$, which efficiently explores the genomic hypothesis space by guiding informative experimentation through active learning. In contrast to sub-symbolic methods, $BMLP_{active}$ encodes a state-of-the-art GEM of a widely accepted bacterial host in an interpretable and logical representation using datalog logic programs. Notably, $BMLP_{active}$ can successfully learn the interaction between a gene pair with fewer training examples than random experimentation, overcoming the increase in experimental design space. $BMLP_{active}$ enables rapid optimisation of metabolic models and offers a realistic approach to a self-driving lab for microbial engineering.
Authors: Hamidreza Behjoo, Michael Chertkov
Abstract: In this manuscript, we present a novel approach for sampling from a continuous multivariate probability distribution, which may either be explicitly known (up to a normalization factor) or represented via empirical samples. Our method constructs a time-dependent bridge from a delta function centered at the origin of the state space at $t=0$, optimally transforming it into the target distribution at $t=1$. We formulate this as a Stochastic Optimal Control problem of the Path Integral Control type, with a cost function comprising (in its basic form) a quadratic control term, a quadratic state term, and a terminal constraint. This framework, which we refer to as Harmonic Path Integral Diffusion (H-PID), leverages an analytical solution through a mapping to an auxiliary quantum harmonic oscillator in imaginary time. The H-PID framework results in a set of efficient sampling algorithms, without the incorporation of Neural Networks. The algorithms are validated on two standard use cases: a mixture of Gaussians over a grid and images from CIFAR-10. The transparency of the method allows us to analyze the algorithms in detail, particularly revealing that the current weighted state is an order parameter for the dynamic phase transition, signaling earlier, at $t<1$, that the sample generation process is almost complete. We contrast these algorithms with other sampling methods, particularly simulated annealing and path integral sampling, highlighting their advantages in terms of analytical control, accuracy, and computational efficiency on benchmark problems. Additionally, we extend the methodology to more general cases where the underlying stochastic differential equation includes an external deterministic, possibly non-conservative force, and where the cost function incorporates a gauge potential term.
Authors: David Wood, Boris Lublinsky, Alexy Roytman, Shivdeep Singh, Constantin Adam, Abdulhamid Adebayo, Sungeun An, Yuan Chi Chang, Xuan-Hong Dang, Nirmit Desai, Michele Dolfi, Hajar Emami-Gohari, Revital Eres, Takuya Goto, Dhiraj Joshi, Yan Koyfman, Mohammad Nassar, Hima Patel, Paramesvaran Selvam, Yousaf Shah, Saptha Surendran, Daiki Tsuzuku, Petros Zerfos, Shahrokh Daijavad
Abstract: Data preparation is the first and a very important step towards any Large Language Model (LLM) development. This paper introduces an easy-to-use, extensible, and scale-flexible open-source data preparation toolkit called Data Prep Kit (DPK). DPK is architected and designed to enable users to scale their data preparation to their needs. With DPK they can prepare data on a local machine or effortlessly scale to run on a cluster with thousands of CPU Cores. DPK comes with a highly scalable, yet extensible set of modules that transform natural language and code data. If the user needs additional transforms, they can be easily developed using extensive DPK support for transform creation. These modules can be used independently or pipelined to perform a series of operations. In this paper, we describe DPK architecture and show its performance from a small scale to a very large number of CPUs. The modules from DPK have been used for the preparation of Granite Models [1] [2]. We believe DPK is a valuable contribution to the AI community to easily prepare data to enhance the performance of their LLM models or to fine-tune models with Retrieval-Augmented Generation (RAG).
Authors: Shubha R. Kharel, Fanchen Meng, Xiaohui Qu, Matthew R. Carbone, Deyu Lu
Abstract: X-ray absorption spectroscopy (XAS) is a powerful characterization technique for probing the local chemical environment of absorbing atoms. However, analyzing XAS data presents significant challenges, often requiring extensive, computationally intensive simulations, as well as significant domain expertise. These limitations hinder the development of fast, robust XAS analysis pipelines that are essential in high-throughput studies and for autonomous experimentation. We address these challenges with OmniXAS, a framework that contains a suite of transfer learning approaches for XAS prediction, each contributing to improved accuracy and efficiency, as demonstrated on K-edge spectra database covering eight 3d transition metals (Ti-Cu). The OmniXAS framework is built upon three distinct strategies. First, we use M3GNet to derive latent representations of the local chemical environment of absorption sites as input for XAS prediction, achieving up to order-of-magnitude improvements over conventional featurization techniques. Second, we employ a hierarchical transfer learning strategy, training a universal multi-task model across elements before fine-tuning for element-specific predictions. Models based on this cascaded approach after element-wise fine-tuning outperform element-specific models by up to 69%. Third, we implement cross-fidelity transfer learning, adapting a universal model to predict spectra generated by simulation of a different fidelity with a higher computational cost. This approach improves prediction accuracy by up to 11% over models trained on the target fidelity alone. Our approach boosts the throughput of XAS modeling by orders of magnitude versus first-principles simulations and is extendable to XAS prediction for a broader range of elements. This transfer learning framework is generalizable to enhance deep-learning models that target other properties in materials research.
Authors: Jiale Zhang, Chengcheng Zhu, Bosen Rao, Hao Sui, Xiaobing Sun, Bing Chen, Chunyi Zhou, Shouling Ji
Abstract: Recent studies have exposed that GNNs are vulnerable to several adversarial attacks, among which backdoor attack is one of the toughest. Similar to Deep Neural Networks (DNNs), backdoor attacks in GNNs lie in the fact that the attacker modifies a portion of graph data by embedding triggers and enforces the model to learn the trigger feature during the model training process. Despite the massive prior backdoor defense works on DNNs, defending against backdoor attacks in GNNs is largely unexplored, severely hindering the widespread application of GNNs in real-world tasks. To bridge this gap, we present GCleaner, the first backdoor mitigation method on GNNs. GCleaner can mitigate the presence of the backdoor logic within backdoored GNNs by reversing the backdoor learning procedure, aiming to restore the model performance to a level similar to that is directly trained on the original clean dataset. To achieve this objective, we ask: How to recover universal and hard backdoor triggers in GNNs? How to unlearn the backdoor trigger feature while maintaining the model performance? We conduct the graph trigger recovery via the explanation method to identify optimal trigger locations, facilitating the search of universal and hard backdoor triggers in the feature space of the backdoored model through maximal similarity. Subsequently, we introduce the backdoor unlearning mechanism, which combines knowledge distillation and gradient-based explainable knowledge for fine-grained backdoor erasure. Extensive experimental evaluations on four benchmark datasets demonstrate that GCleaner can reduce the backdoor attack success rate to 10% with only 1% of clean data, and has almost negligible degradation in model performance, which far outperforms the state-of-the-art (SOTA) defense methods.
Authors: Yuzhou Gu, Nikki Lijing Kuang, Yi-An Ma, Zhao Song, Lichen Zhang
Abstract: We consider the problem of sampling from a $d$-dimensional log-concave distribution $\pi(\theta) \propto \exp(-f(\theta))$ for $L$-Lipschitz $f$, constrained to a convex body with an efficiently computable self-concordant barrier function, contained in a ball of radius $R$ with a $w$-warm start. We propose a \emph{robust} sampling framework that computes spectral approximations to the Hessian of the barrier functions in each iteration. We prove that for polytopes that are described by $n$ hyperplanes, sampling with the Lee-Sidford barrier function mixes within $\widetilde O((d^2+dL^2R^2)\log(w/\delta))$ steps with a per step cost of $\widetilde O(nd^{\omega-1})$, where $\omega\approx 2.37$ is the fast matrix multiplication exponent. Compared to the prior work of Mangoubi and Vishnoi, our approach gives faster mixing time as we are able to design a generalized soft-threshold Dikin walk beyond log-barrier. We further extend our result to show how to sample from a $d$-dimensional spectrahedron, the constrained set of a semidefinite program, specified by the set $\{x\in \mathbb{R}^d: \sum_{i=1}^d x_i A_i \succeq C \}$ where $A_1,\ldots,A_d, C$ are $n\times n$ real symmetric matrices. We design a walk that mixes in $\widetilde O((nd+dL^2R^2)\log(w/\delta))$ steps with a per iteration cost of $\widetilde O(n^\omega+n^2d^{3\omega-5})$. We improve the mixing time bound of prior best Dikin walk due to Narayanan and Rakhlin that mixes in $\widetilde O((n^2d^3+n^2dL^2R^2)\log(w/\delta))$ steps.
Authors: Jonathan Brokman, Omer Hofman, Oren Rachmil, Inderjeet Singh, Rathina Sabapathy Aishvariya Priya, Vikas Pahuja, Amit Giloni, Roman Vainshtein, Hisashi Kojima
Abstract: This report presents a comparative analysis of open-source vulnerability scanners for conversational large language models (LLMs). As LLMs become integral to various applications, they also present potential attack surfaces, exposed to security risks such as information leakage and jailbreak attacks. Our study evaluates prominent scanners - Garak, Giskard, PyRIT, and CyberSecEval - that adapt red-teaming practices to expose these vulnerabilities. We detail the distinctive features and practical use of these scanners, outline unifying principles of their design and perform quantitative evaluations to compare them. These evaluations uncover significant reliability issues in detecting successful attacks, highlighting a fundamental gap for future development. Additionally, we contribute a preliminary labelled dataset, which serves as an initial step to bridge this gap. Based on the above, we provide strategic recommendations to assist organizations choose the most suitable scanner for their red-teaming needs, accounting for customizability, test suite comprehensiveness, and industry-specific use cases.
Authors: Joongwon Chae, Zhenyu Wang, Ijaz Gul, Jiansong Ji, Zhenglin Chen, Peiwu Qin
Abstract: Recent advancements in protein structure prediction, particularly AlphaFold2, have revolutionized structural biology by achieving near-experimental accuracy ($\text{average RMSD} < 1.5\text{\AA}$). However, the computational demands of these models (approximately 30 minutes per protein on an RTX 4090) significantly limit their application in high-throughput protein screening. While large language models like ESM (Evolutionary Scale Modeling) have shown promise in extracting structural information directly from protein sequences, rapid assessment of protein structure quality for large-scale analyses remains a major challenge. We introduce pLDDT-Predictor, a high-speed protein screening tool that achieves a $250,000\times$ speedup compared to AlphaFold2 by leveraging pre-trained ESM2 protein embeddings and a Transformer architecture. Our model predicts AlphaFold2's pLDDT (predicted Local Distance Difference Test) scores with a Pearson correlation of 0.7891 and processes proteins in just 0.007 seconds on average. Using a comprehensive dataset of 1.5 million diverse protein sequences (ranging from 50 to 2048 amino acids), we demonstrate that pLDDT-Predictor accurately classifies high-confidence structures (pLDDT $>$ 70) with 91.2\% accuracy and achieves an MSE of 84.8142 compared to AlphaFold2's predictions. The source code and pre-trained models are freely available at \url{https://github.com/jw-chae/pLDDT_Predictor}, enabling the research community to perform rapid, large-scale protein structure quality assessments.
Authors: Ege Erdil, David Schneider-Joseph
Abstract: We present a theoretical model of distributed training, and use it to analyze how far dense and sparse training runs can be scaled. Under our baseline assumptions, given a three month training duration, data movement bottlenecks begin to significantly lower hardware utilization for training runs exceeding about $10^{28}$ FLOP, two orders of magnitude above the largest training run to date, suggesting the arrival of fundamental barriers to scaling in three years given recent rates of growth. A training run exceeding about $10^{31}$ FLOP is infeasible even at low utilization. However, more aggressive batch size scaling and/or shorter and fatter model shapes, if achievable, have the potential to permit much larger training runs.
Authors: Jinyin Chen, Haonan Ma, Haibin Zheng
Abstract: Graph has become increasingly integral to the advancement of recommendation systems, particularly with the fast development of graph neural network(GNN). By exploring the virtue of rich node features and link information, GNN is designed to provide personalized and accurate suggestions. Meanwhile, the privacy leakage of GNN in such contexts has also captured special attention. Prior work has revealed that a malicious user can utilize auxiliary knowledge to extract sensitive link data of the target graph, integral to recommendation systems, via the decision made by the target GNN model. This poses a significant risk to the integrity and confidentiality of data used in recommendation system. Though important, previous works on GNN's privacy leakage are still challenged in three aspects, i.e., limited stealing attack scenarios, sub-optimal attack performance, and adaptation against defense. To address these issues, we propose a diffusion model based link stealing attack, named DM4Steal. It differs previous work from three critical aspects. (i) Generality: aiming at six attack scenarios with limited auxiliary knowledge, we propose a novel training strategy for diffusion models so that DM4Steal is transferable to diverse attack scenarios. (ii) Effectiveness: benefiting from the retention of semantic structure in the diffusion model during the training process, DM4Steal is capable to learn the precise topology of the target graph through the GNN decision process. (iii) Adaptation: when GNN is defensive (e.g., DP, Dropout), DM4Steal relies on the stability that comes from sampling the score model multiple times to keep performance degradation to a minimum, thus DM4Steal implements successful adaptive attack on defensive GNN.
Authors: Tao Wang, Xinlin Zhang, Yuanbin Chen, Yuanbo Zhou, Longxuan Zhao, Tao Tan, Tong Tong
Abstract: Semi-supervised learning has received considerable attention for its potential to leverage abundant unlabeled data to enhance model robustness. Pseudo labeling is a widely used strategy in semi supervised learning. However, existing methods often suffer from noise contamination, which can undermine model performance. To tackle this challenge, we introduce a novel Synergy-Guided Regional Supervision of Pseudo Labels (SGRS-Net) framework. Built upon the mean teacher network, we employ a Mix Augmentation module to enhance the unlabeled data. By evaluating the synergy before and after augmentation, we strategically partition the pseudo labels into distinct regions. Additionally, we introduce a Region Loss Evaluation module to assess the loss across each delineated area. Extensive experiments conducted on the LA dataset have demonstrated superior performance over state-of-the-art techniques, underscoring the efficiency and practicality of our framework.
Authors: Shanglin Li, Motoaki Kawanabe, Reinmar J. Kobler
Abstract: The non-stationary nature of electroencephalography (EEG) introduces distribution shifts across domains (e.g., days and subjects), posing a significant challenge to EEG-based neurotechnology generalization. Without labeled calibration data for target domains, the problem is a source-free unsupervised domain adaptation (SFUDA) problem. For scenarios with constant label distribution, Riemannian geometry-aware statistical alignment frameworks on the symmetric positive definite (SPD) manifold are considered state-of-the-art. However, many practical scenarios, including EEG-based sleep staging, exhibit label shifts. Here, we propose a geometric deep learning framework for SFUDA problems under specific distribution shifts, including label shifts. We introduce a novel, realistic generative model and show that prior Riemannian statistical alignment methods on the SPD manifold can compensate for specific marginal and conditional distribution shifts but hurt generalization under label shifts. As a remedy, we propose a parameter-efficient manifold optimization strategy termed SPDIM. SPDIM uses the information maximization principle to learn a single SPD-manifold-constrained parameter per target domain. In simulations, we demonstrate that SPDIM can compensate for the shifts under our generative model. Moreover, using public EEG-based brain-computer interface and sleep staging datasets, we show that SPDIM outperforms prior approaches.
Authors: Chika Maduabuchi, Ericmoore Jossou, Matteo Bucci
Abstract: Purpose: High-speed video (HSV) phase detection (PD) segmentation is vital in nuclear reactors, chemical processing, and electronics cooling for detecting vapor, liquid, and microlayer phases. Traditional segmentation models face pixel-level accuracy and generalization issues in multimodal data. MSEG-VCUQ introduces VideoSAM, a hybrid framework leveraging convolutional neural networks (CNNs) and transformer-based vision models to enhance segmentation accuracy and generalizability across complex multimodal PD tasks. Methods: VideoSAM combines U-Net CNN and the Segment Anything Model (SAM) for advanced feature extraction and segmentation across diverse HSV PD modalities, spanning fluids like water, FC-72, nitrogen, and argon under varied heat flux conditions. The framework also incorporates uncertainty quantification (UQ) to assess pixel-based discretization errors, delivering reliable metrics such as contact line density and dry area fraction under experimental conditions. Results: VideoSAM outperforms SAM and modality-specific CNN models in segmentation accuracy, excelling in environments with complex phase boundaries, overlapping bubbles, and dynamic liquid-vapor interactions. Its hybrid architecture supports cross-dataset generalization, adapting effectively to varying modalities. The UQ module provides accurate error estimates, enhancing the reliability of segmentation outputs for advanced HSV PD research. Conclusion: MSEG-VCUQ, via VideoSAM, offers a robust solution for HSV PD segmentation, addressing previous limitations with advanced deep learning and UQ techniques. The open-source datasets and tools introduced enable scalable, precise, and adaptable segmentation for multimodal PD datasets, supporting advancements in HSV analysis and autonomous experimentation. The codes and data used for this paper are publicly available at: \url{https://github.com/chikap421/mseg_vcuq}
Authors: Arman Riasi, Jorge Guajardo, Thang Hoang
Abstract: Machine learning has revolutionized data analysis and pattern recognition, but its resource-intensive training has limited accessibility. Machine Learning as a Service (MLaaS) simplifies this by enabling users to delegate their data samples to an MLaaS provider and obtain the inference result using a pre-trained model. Despite its convenience, leveraging MLaaS poses significant privacy and reliability concerns to the client. Specifically, sensitive information from the client inquiry data can be leaked to an adversarial MLaaS provider. Meanwhile, the lack of a verifiability guarantee can potentially result in biased inference results or even unfair payment issues. While existing trustworthy machine learning techniques, such as those relying on verifiable computation or secure computation, offer solutions to privacy and reliability concerns, they fall short of simultaneously protecting the privacy of client data and providing provable inference verifiability. In this paper, we propose vPIN, a privacy-preserving and verifiable CNN inference scheme that preserves privacy for client data samples while ensuring verifiability for the inference. vPIN makes use of partial homomorphic encryption and commit-and-prove succinct non-interactive argument of knowledge techniques to achieve desirable security properties. In vPIN, we develop various optimization techniques to minimize the proving circuit for homomorphic inference evaluation thereby, improving the efficiency and performance of our technique. We fully implemented and evaluated our vPIN scheme on standard datasets (e.g., MNIST, CIFAR-10). Our experimental results show that vPIN achieves high efficiency in terms of proving time, verification time, and proof size, while providing client data privacy guarantees and provable verifiability.
Authors: Eleonora Mancini, Francesco Paissan, Paolo Torroni, Mirco Ravanelli, Cem Subakan
Abstract: Speech impairments in Parkinson's disease (PD) provide significant early indicators for diagnosis. While models for speech-based PD detection have shown strong performance, their interpretability remains underexplored. This study systematically evaluates several explainability methods to identify PD-specific speech features, aiming to support the development of accurate, interpretable models for clinical decision-making in PD diagnosis and monitoring. Our methodology involves (i) obtaining attributions and saliency maps using mainstream interpretability techniques, (ii) quantitatively evaluating the faithfulness of these maps and their combinations obtained via union and intersection through a range of established metrics, and (iii) assessing the information conveyed by the saliency maps for PD detection from an auxiliary classifier. Our results reveal that, while explanations are aligned with the classifier, they often fail to provide valuable information for domain experts.